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    CAS 20099-89-2
    Also known as: 20099-89-2, 4-cyanophenacyl bromide, 4-(bromoacetyl)benzonitrile, 2-bromo-4'-cyanoacetophenone, Benzonitrile, 4-(bromoacetyl)-, P-cyanophenacyl bromide
    Molecular Formula
    C9H6BrNO
    Molecular Weight
    224.05  g/mol
    InChI Key
    LJANCPRIUMHGJE-UHFFFAOYSA-N
    FDA UNII
    E6T2NP32GC
    1 2D Structure

    CAS 20099-89-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(2-bromoacetyl)benzonitrile
    2.1.2 InChI
    InChI=1S/C9H6BrNO/c10-5-9(12)8-3-1-7(6-11)2-4-8/h1-4H,5H2
    2.1.3 InChI Key
    LJANCPRIUMHGJE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C#N)C(=O)CBr
    2.2 Other Identifiers
    2.2.1 UNII
    E6T2NP32GC
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 20099-89-2

    2. 4-cyanophenacyl Bromide

    3. 4-(bromoacetyl)benzonitrile

    4. 2-bromo-4'-cyanoacetophenone

    5. Benzonitrile, 4-(bromoacetyl)-

    6. P-cyanophenacyl Bromide

    7. 4-(2-bromo-acetyl)-benzonitrile

    8. E6t2np32gc

    9. 2-bromo-4'-cyano Acetophenone

    10. Chembl1801622

    11. Benzonitrile, 4-(2-bromoacetyl)-

    12. Nsc-157569

    13. 4-cyanophenacyl Bromide 97%

    14. Mfcd00052931

    15. Nsc 157569

    16. P-bromoacetylbenzonitrile

    17. 4-bromoacetylbenzonitrile

    18. 4-cyano Phenacyl Bromide

    19. 4-bromoacetyl Benzonitrile

    20. 4-bromoacetyl-benzonitrile

    21. Unii-e6t2np32gc

    22. Schembl250688

    23. A-bromo-4'-cyano-acetophenone

    24. 4-(bromoacetyl)benzonitrile #

    25. 2-bromo-4'-cyano-acetophenone

    26. 4-(2-bromoacetyl)-benzonitrile

    27. The Intermideate Of Isavuconazole

    28. Dtxsid00173920

    29. Am835

    30. Zinc166064

    31. 2-bromo-1-(4-cyanophenyl)ethanone

    32. Act00938

    33. Bcp10300

    34. Cs-m3110

    35. Str07969

    36. Bdbm50347519

    37. Ck2151

    38. Nsc157569

    39. Stk279014

    40. 2-bromo-1-(4-cyanophenyl)-ethanone

    41. 2-bromo-4'-cyanoacetophenone, 96%

    42. 2-bromo-4-cyano Acetophenone

    43. 4-(2-bromoacetyl)benzonitrile-[d4]

    44. Akos000117765

    45. Upcmld0enat5695579:001

    46. Ac-31070

    47. Bp-13004

    48. Db-045087

    49. Ft-0611444

    50. En300-13898

    51. J-013010

    52. 2-bromo-4 Inverted Exclamation Marka-cyanoacetophenone

    53. F0001-0711

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 224.05 g/mol
    Molecular Formula C9H6BrNO
    XLogP32
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count2
    Exact Mass222.96328 g/mol
    Monoisotopic Mass222.96328 g/mol
    Topological Polar Surface Area40.9 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity210
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                  Isavuconazonium Sulfate
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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                                  Porton Pharma Solutions

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                                  (2-(methylamino)pyridin-3- yl)methyl 2-(tertbutoxycarbo...

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                                  1180002-01-0
                                  Isavuconazonium Sulfate
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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                                  (2R,3R)-3-(2,5-Difluorophenyl)-3-hydroxy- 2-Methyl-4-(1...

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                                  368421-58-3
                                  Isavuconazonium Sulfate
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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                                  Porton Pharma Solutions

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                                  (2R,3S)-2-(2,5-difluorophenyl)-3-methyl-2- [(1H-1,2,4-t...

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                                  241479-73-2
                                  Isavuconazonium Sulfate
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
                                  Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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                                  transo-pharm-handels-gmbh-m-2024-05-20

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                                  Biopharma Group offers CDMO services with expertise in contract R&D for dried products & liquid formulations.

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