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    CAS 7697-28-1

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    • Chemistry
    CAS 7697-28-1
    Also known as: 7697-28-1, 4-bromo-m-toluic acid, 3-methyl-4-bromobenzoic acid, 4-bromo-3-methyl-benzoic acid, 4-bromo-3-methylbenzoicacid, Benzoic acid, 4-bromo-3-methyl-
    Molecular Formula
    C8H7BrO2
    Molecular Weight
    215.04  g/mol
    InChI Key
    KWVXDZLVCISXIB-UHFFFAOYSA-N
    FDA UNII
    B77W8W6R4Q
    1 2D Structure

    CAS 7697-28-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-bromo-3-methylbenzoic acid
    2.1.2 InChI
    InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)
    2.1.3 InChI Key
    KWVXDZLVCISXIB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC1=C(C=CC(=C1)C(=O)O)Br
    2.2 Other Identifiers
    2.2.1 UNII
    B77W8W6R4Q
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 7697-28-1

    2. 4-bromo-m-toluic Acid

    3. 3-methyl-4-bromobenzoic Acid

    4. 4-bromo-3-methyl-benzoic Acid

    5. 4-bromo-3-methylbenzoicacid

    6. Benzoic Acid, 4-bromo-3-methyl-

    7. Mfcd00039526

    8. B77w8w6r4q

    9. 4-bromo-3-methyl Benzoic Acid

    10. Einecs 231-713-7

    11. 4bromo-3-methylbenzoic Acid

    12. Unii-b77w8w6r4q

    13. 4-bromo-5-methylbenzoic Acid

    14. Schembl141936

    15. Dtxsid20227752

    16. Zinc403510

    17. Act08090

    18. Bcp24563

    19. Str06302

    20. 4-bromo-3-methylbenzoic Acid, 97%

    21. 4-bromo-3-methylbenzenecarboxylic Acid

    22. Akos000298678

    23. Ac-3917

    24. Cs-w002178

    25. Ps-7946

    26. Bp-10001

    27. Sy005296

    28. Db-005338

    29. Am20060120

    30. B3113

    31. Ft-0600920

    32. 697b281

    33. W-104331

    34. Q27451078

    35. Z1696832265

    2.4 Create Date
    2005-07-19
    3 Chemical and Physical Properties
    Molecular Weight 215.04 g/mol
    Molecular Formula C8H7BrO2
    XLogP33.1
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass213.96294 g/mol
    Monoisotopic Mass213.96294 g/mol
    Topological Polar Surface Area37.3 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity158
    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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      MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
      MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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        MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili ...
        MAITHILI is a group of companies based in India (MAM, MLS, MAC, MAT,SGG) and Singapore(MITCO). Maithili Life Sciences (MLS) is a Contract Research Organization headquartered in Hyderabad(lab scale). API operations are supported by a manufacturing unit with cGMP facility designed in accordance with international standards with a built up space of around 4,35,600 sq ft located in Tirupati,AP,India(pilot scale).
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        Shouyuan chemical (one of the leading chemicals supplier in China) specializes in manufacturing, supplying, and custom synsthesis latest chemicals. Our products cover all kinds of range like pharmaceuticals, agrochemicals, electronic chemicals, surfactants and other specialty chemicals.
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