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    CAS 6641-64-1

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    CAS 6641-64-1
    Also known as: 6641-64-1, 3,4-dichloro-6-nitroaniline, Benzenamine, 4,5-dichloro-2-nitro-, 2-nitro-4,5-dichloroaniline, Mfcd00007770, 3i0g2adu1l
    Molecular Formula
    C6H4Cl2N2O2
    Molecular Weight
    207.01  g/mol
    InChI Key
    FSGTULQLEVAYRS-UHFFFAOYSA-N
    FDA UNII
    3I0G2ADU1L
    1 2D Structure

    CAS 6641-64-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4,5-dichloro-2-nitroaniline
    2.1.2 InChI
    InChI=1S/C6H4Cl2N2O2/c7-3-1-5(9)6(10(11)12)2-4(3)8/h1-2H,9H2
    2.1.3 InChI Key
    FSGTULQLEVAYRS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C(=CC(=C1Cl)Cl)[N+](=O)[O-])N
    2.2 Other Identifiers
    2.2.1 UNII
    3I0G2ADU1L
    2.3 Synonyms
    2.3.1 Depositor-Supplied Synonyms

    1. 6641-64-1

    2. 3,4-dichloro-6-nitroaniline

    3. Benzenamine, 4,5-dichloro-2-nitro-

    4. 2-nitro-4,5-dichloroaniline

    5. Mfcd00007770

    6. 3i0g2adu1l

    7. 4.5-dichloro-2-nitroaniline

    8. Nsc-17012

    9. 1-amino-4,5-dichloro-2-nitrobenzene

    10. 4,5-dichloro-2-nitrobenzenamine

    11. Unii-3i0g2adu1l

    12. 4,5-dichloro-2-nitro-aniline

    13. Nsc17012

    14. Einecs 229-657-3

    15. Schembl1193334

    16. Schembl9939970

    17. Chembl4451591

    18. Dtxsid0073376

    19. 4,5-dichloro-2-nitro-phenylamine

    20. Act00121

    21. Zinc4289464

    22. Nsc 17012

    23. 4,5-dichloro-2-nitroaniline, 96%

    24. Akos000425466

    25. Ac-2969

    26. Cs-w015295

    27. Ps-5761

    28. Sb78421

    29. Aniline, 4,5-dichloro-2-nitro-

    30. Sy003445

    31. Db-028651

    32. Am20060383

    33. D4041

    34. Ft-0614218

    35. A1-08017

    36. W-104751

    37. Q27257235

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 207.01 g/mol
    Molecular Formula C6H4Cl2N2O2
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count0
    Exact Mass205.9649828 g/mol
    Monoisotopic Mass205.9649828 g/mol
    Topological Polar Surface Area71.8 Ų
    Heavy Atom Count12
    Formal Charge0
    Complexity185
    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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