m-Chlorobenzoic acid | SBID = 514 | Compound | Pubchem logo

Struc Structure

Molecular Properties

Interactions: 2
PubChem TPSA/Å2: 37.3
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 2.7
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 2.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 0.0
3D Volume/Å3: 113.8
Sum Formula: C7H5ClO2
M / g/mol: 156.56
Complexity: 136.0
Number of Conformers: 2.0

Identifiers

  • Tags: aromatic, typical guest
  • Name: m-Chlorobenzoic acid
  • Preferred Abbreviation: 3-Chlorobenzoic acid
  • IUPAC Name: 3-chlorobenzoic acid
  • CAS: 535-80-8
  • CID: 447
  • InChiKey: LULAYUGMBFYYEX-UHFFFAOYSA-N
  • InChi: InChI=1S/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
  • CanoSmiles: C1=CC(=CC(=C1)Cl)C(=O)O
  • IsoSmiles: C1=CC(=CC(=C1)Cl)C(=O)O