Cas no 17641-70-2 (2-(chlorosulfonyl)-5-methylbenzoic acid)

2-(chlorosulfonyl)-5-methylbenzoic acid structure
17641-70-2 structure
Product Name:2-(chlorosulfonyl)-5-methylbenzoic acid
CAS No:17641-70-2
MF:C8H7ClO4S
MW:234.656780481339
CID:1362912
PubChem ID:13514549
Update Time:2025-04-20

2-(chlorosulfonyl)-5-methylbenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 2-(chlorosulfonyl)-5-methyl-
    • 2-(chlorosulfonyl)-5-methylbenzoic acid
    • AKOS006334856
    • 17641-70-2
    • 2-chlorosulfonyl-5-methylbenzoic acid
    • 2-(chlorosulfonyl)-5-methylbenzoicacid
    • EN300-105336
    • Inchi: 1S/C8H7ClO4S/c1-5-2-3-7(14(9,12)13)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
    • InChI Key: UMUMRWQHEYXGBF-UHFFFAOYSA-N
    • SMILES: ClS(C1C=CC(C)=CC=1C(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 233.97541
  • Monoisotopic Mass: 233.9753576g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 319
  • 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: 2.6
  • Topological Polar Surface Area: 79.8?2

Experimental Properties

  • PSA: 71.44

2-(chlorosulfonyl)-5-methylbenzoic acid Pricemore >>

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