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    Chemistry

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    Also known as: 65001-21-0, 5-bromopyridine-3-sulphonyl chloride, 5-bromopyridine-3-sulfonylchloride, 5-bromo-3-pyridinesulfonyl chloride, 5-bromo-pyridine-3-sulfonyl chloride, 3-pyridinesulfonyl chloride, 5-bromo-
    Molecular Formula
    C5H3BrClNO2S
    Molecular Weight
    256.51  g/mol
    InChI Key
    AVILRJQPDYPXFQ-UHFFFAOYSA-N
    CAS 65001-21-0
    1 2D Structure

    CAS 65001-21-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    5-bromopyridine-3-sulfonyl chloride
    2.1.2 InChI
    InChI=1S/C5H3BrClNO2S/c6-4-1-5(3-8-2-4)11(7,9)10/h1-3H
    2.1.3 InChI Key
    AVILRJQPDYPXFQ-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(C=NC=C1Br)S(=O)(=O)Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 65001-21-0

    2. 5-bromopyridine-3-sulphonyl Chloride

    3. 5-bromopyridine-3-sulfonylchloride

    4. 5-bromo-3-pyridinesulfonyl Chloride

    5. 5-bromo-pyridine-3-sulfonyl Chloride

    6. 3-pyridinesulfonyl Chloride, 5-bromo-

    7. Schembl352138

    8. Dtxsid80605335

    9. 5-bromopyridin-3-sulfonyl Chloride

    10. 3-bromopyridine-5-sulfonyl Chloride

    11. 5-bromopyridine-3-sulphonylchloride

    12. Amy16370

    13. Mfcd08235263

    14. Zinc51951744

    15. 5-bromanylpyridine-3-sulfonyl Chloride

    16. Akos005146267

    17. Ab43830

    18. Cs-w005969

    19. Ds-15301

    20. A8850

    21. Ft-0649929

    22. En300-55593

    23. 5-bromopyridine-3-sulfonyl Chloride, Aldrichcpr

    24. 001b210

    25. A834939

    26. J-517205

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 256.51 g/mol
    Molecular Formula C5H3BrClNO2S
    XLogP31.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count1
    Exact Mass254.87564 g/mol
    Monoisotopic Mass254.87564 g/mol
    Topological Polar Surface Area55.4 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity225
    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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