Cas no 139937-38-5 (Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-)

Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]- structure
139937-38-5 structure
Product Name:Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-
CAS No:139937-38-5
MF:C9H10BrNO4S
MW:308.149000644684
CID:1291134
PubChem ID:71343115
Update Time:2025-04-20

Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • Glycine, N-[(4-bromo-2-methylphenyl)sulfonyl]-
    • 2-[(4-bromo-2-methylphenyl)sulfonylamino]acetic acid
    • DTXSID00769766
    • N-(4-Bromo-2-methylbenzene-1-sulfonyl)glycine
    • 139937-38-5
    • Inchi: 1S/C9H10BrNO4S/c1-6-4-7(10)2-3-8(6)16(14,15)11-5-9(12)13/h2-4,11H,5H2,1H3,(H,12,13)
    • InChI Key: TWUIBHIUIGZMQV-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C)C=1)S(NCC(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 306.9514
  • Monoisotopic Mass: 306.95139g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 351
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 91.8?2

Experimental Properties

  • PSA: 83.47
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