Cas no 111870-27-0 (5-chloro-3-formyl-2-hydroxybenzoic acid)

5-chloro-3-formyl-2-hydroxybenzoic acid structure
111870-27-0 structure
Product Name:5-chloro-3-formyl-2-hydroxybenzoic acid
CAS No:111870-27-0
MF:C8H5ClO4
MW:200.57590174675
MDL:MFCD09863991
CID:227270
PubChem ID:183356
Update Time:2025-04-19

5-chloro-3-formyl-2-hydroxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,5-chloro-3-formyl-2-hydroxy-
    • 5-chloro-3-formyl-2-hydroxybenzoic acid
    • DTXSID90149755
    • WLGGJFMFRKYMDF-UHFFFAOYSA-N
    • SCHEMBL10550218
    • 111870-27-0
    • MDL: MFCD09863991
    • Inchi: 1S/C8H5ClO4/c9-5-1-4(3-10)7(11)6(2-5)8(12)13/h1-3,11H,(H,12,13)
    • InChI Key: WLGGJFMFRKYMDF-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C=O)C(=C(C(=O)O)C=1)O

Computed Properties

  • Exact Mass: 199.98765
  • Monoisotopic Mass: 199.9876363g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 218
  • 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: 74.6?2

Experimental Properties

  • PSA: 74.6

5-chloro-3-formyl-2-hydroxybenzoic acid Pricemore >>

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