Cas no 27886-58-4 (2-Chlorobenzenesulfonic Acid hydrate)

2-Chlorobenzenesulfonic Acid hydrate structure
27886-58-4 structure
Product Name:2-Chlorobenzenesulfonic Acid hydrate
CAS No:27886-58-4
MF:C6H5ClO3S
MW:192.620099782944
MDL:MFCD18837116
CID:822192
PubChem ID:13531453
Update Time:2025-04-19

2-Chlorobenzenesulfonic Acid hydrate Chemical and Physical Properties

Names and Identifiers

    • 2-CHLORO-BENZENESULFONIC ACID
    • 2-chlorobenzenesulfonic acid
    • o-Chlorobenzenesulfonic acid
    • 2-Chlorobenzene-1-sulfonic acid
    • chlorobenzenesulfonic acid
    • chlorobenzene-2-sulfonic acid
    • MNURPFVONZPVLA-UHFFFAOYSA-N
    • AM100616
    • 2-CHLOROBENZENESULFONIC ACID HYDRATE
    • AB1009898
    • AKOS015940018
    • DA-17228
    • 27886-58-4
    • CBA88658
    • AS-59280
    • D93084
    • MFCD18837116
    • starbld0016957
    • SCHEMBL50612
    • DTXSID10950567
    • 2-Chlorobenzenesulfonic Acid hydrate
    • MDL: MFCD18837116
    • Inchi: 1S/C6H5ClO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H,8,9,10)
    • InChI Key: MNURPFVONZPVLA-UHFFFAOYSA-N
    • SMILES: ClC1C=CC=CC=1S(=O)(=O)O

Computed Properties

  • Exact Mass: 191.9647929g/mol
  • Monoisotopic Mass: 191.9647929g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 219
  • 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: 0.9
  • Topological Polar Surface Area: 62.8

Experimental Properties

  • Density: 1.551

2-Chlorobenzenesulfonic Acid hydrate Pricemore >>

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