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    Technical details about Benzaldehyde, learn more about the structure, uses, toxicity, action, side effects and more

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    Benzaldehyde

    APIs // Active Pharmaceutical Ingredients

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    REF. STANDARDS & IMPURITIES

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    2D Structure
    1. Also known as: 120578-03-2, (e)-3-(2-(7-chloroquinolin-2-yl)vinyl)benzaldehyde, (e)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde, 115104-40-0, 3-(2-(7-chloroquinoline-2-yl)-(e)-vinyl)benzaldehyde, 3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
    Molecular Formula
    C18H12ClNO
    Molecular Weight
    293.7  g/mol
    InChI Key
    JTRDWIOIDMLMNN-XBXARRHUSA-N
    FDA UNII
    7A6GHC3KVE
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde
    2.1.2 InChI
    InChI=1S/C18H12ClNO/c19-16-7-5-15-6-9-17(20-18(15)11-16)8-4-13-2-1-3-14(10-13)12-21/h1-12H/b8-4+
    2.1.3 InChI Key
    JTRDWIOIDMLMNN-XBXARRHUSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)C=O)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2
    2.1.5 Isomeric SMILES
    C1=CC(=CC(=C1)C=O)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2
    2.2 Other Identifiers
    2.2.1 UNII
    7A6GHC3KVE
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 120578-03-2

    2. (e)-3-(2-(7-chloroquinolin-2-yl)vinyl)benzaldehyde

    3. (e)-3-[2-(7-chloro-2-quinolinyl)ethenyl]benzaldehyde

    4. 115104-40-0

    5. 3-(2-(7-chloroquinoline-2-yl)-(e)-vinyl)benzaldehyde

    6. 3-[(e)-2-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde

    7. 7a6ghc3kve

    8. 3-[2-(7-chloro-2-quinolyl)vinyl]benzaldehyde

    9. 3-[2-(7-chloroquinolin-2-yl)vinyl]benzaldehyde

    10. 3-(2-(7-chloroquinolin-2-yl)-ethenyl)benzaldehyde

    11. (e)-3-(2-(7-chloro-2-quinolinyl)ethenyl)benzaldehyde

    12. 3-[2(e)-(7-chloroquinolin-2-yl)ethenyl]benzaldehyde

    13. 3-[2(e)-(7-chloroquinolin-2-yl)ethenyl}benzaldehyde

    14. Monal

    15. Unii-7a6ghc3kve

    16. Ec 421-800-1

    17. Schembl919522

    18. 3-((e)-2-(7-chloro-2-quinolinyl)vinyl)benzaldehyde

    19. Amy741

    20. Bcp10510

    21. Mfcd02684215

    22. Zinc22009413

    23. Akos015966686

    24. Ac-9619

    25. Da-16869

    26. Ws-02652

    27. Cs-0000048

    28. D83332

    29. 3-(7-chloroquinol-2-yl-trans-ethenyl)benzaldehyde

    30. 578c032

    31. A804541

    32. J-004364

    33. 3-[(e)-2-(7-chloroquinolin-2-yl)vinyl]benzaldehyde

    34. 3-[(e)-2-(7-chloroquinoline-2-yl)vinyl]benzaldehyde

    35. 3-[(1e)-2-(7-chloro-2-quinolinyl)ethenyl]-benzaldehyde

    36. 3-[(e)-2-(7-chloro-quinolin-2-yl)-vinyl]-benzaldehyde

    37. 3-(2-(7-chloro-2-quinolinyl)ethenyl)benzaldehyde, (e)-

    38. Benzaldehyde, 3-((1e)-2-(7-chloro-2-quinolinyl)ethenyl)-

    39. Benzaldehyde, 3-(2-(7-chloro-2-quinolinyl)ethenyl)-, (e)-

    2.4 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 293.7 g/mol
    Molecular Formula C18H12ClNO
    XLogP34.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count3
    Exact Mass293.0607417 g/mol
    Monoisotopic Mass293.0607417 g/mol
    Topological Polar Surface Area30 Ų
    Heavy Atom Count21
    Formal Charge0
    Complexity383
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count1
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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