Cas no 51762-82-4 (1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]-)

1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]- structure
51762-82-4 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]-
CAS No:51762-82-4
MF:C14H9ClO6S
MW:340.735662221909
CID:361480
PubChem ID:20317767
Update Time:2025-04-19

1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Benzenedicarboxylic acid, 2-[(4-chlorophenyl)sulfonyl]-
    • 2-(4-chlorophenyl)sulfonylterephthalic acid
    • 2-(4-Chlorobenzene-1-sulfonyl)benzene-1,4-dicarboxylic acid
    • SCHEMBL11631101
    • DTXSID60605136
    • 51762-82-4
    • Inchi: 1S/C14H9ClO6S/c15-9-2-4-10(5-3-9)22(20,21)12-7-8(13(16)17)1-6-11(12)14(18)19/h1-7H,(H,16,17)(H,18,19)
    • InChI Key: YOTMPGQLMIOCNL-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)S(C1C=C(C(=O)O)C=CC=1C(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 339.98087
  • Monoisotopic Mass: 339.9808369g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 4
  • Complexity: 532
  • 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: 2.4
  • Topological Polar Surface Area: 117?2

Experimental Properties

  • PSA: 108.74
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