Cas no 87932-49-8 (3-chloro-4,5-dihydroxy-benzoic acid)

3-chloro-4,5-dihydroxy-benzoic acid structure
87932-49-8 structure
Product Name:3-chloro-4,5-dihydroxy-benzoic acid
CAS No:87932-49-8
MF:C7H5ClO4
MW:188.56520152092
MDL:MFCD01742816
CID:992886
PubChem ID:54358
Update Time:2025-04-20

3-chloro-4,5-dihydroxy-benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4,5-dihydroxybenzoic acid
    • Nsc21187
    • Benzoic acid, 3-chloro-4,5-dihydroxy-
    • AK142333
    • GGUNECQLDCNDDY-UHFFFAOYSA-N
    • FCH844687
    • AX8282191
    • ST24042024
    • 3-chloro-4,5-dihydroxy-benzoic acid
    • AKOS006275956
    • 3-Chloro-4,5-dihydroxybenzoicacid
    • 79188-95-7
    • SCHEMBL1458206
    • NSC 21187
    • MFCD01742816
    • W17154
    • 87932-49-8
    • NSC-21187
    • DS-7518
    • CS-0068147
    • DTXSID401000328
    • DB-240893
    • MDL： MFCD01742816
    • Inchi： 1S/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)
    • InChI Key： GGUNECQLDCNDDY-UHFFFAOYSA-N
    • SMILES： ClC1C(=C(C=C(C(=O)O)C=1)O)O

Computed Properties

  • Exact Mass: 187.9876363g/mol
  • Monoisotopic Mass: 187.9876363g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 184
  • 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: 1.7
  • Topological Polar Surface Area: 77.8

Experimental Properties

  • Boiling Point: 391.7°C at 760 mmHg

3-chloro-4,5-dihydroxy-benzoic acid Security Information

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