chlorous acid

• ChemBase ID: 126546
• Molecular Formular: ClHO2
• Molecular Mass: 68.45974
• Monoisotopic Mass: 67.96650695
• SMILES: O=[Cl]O
• Canonical SMILES: O[Cl]=O
• InChI: InChI=1S/ClHO2/c2-1-3/h(H,2,3)
• InChIKey: QBWCMBCROVPCKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorous acid
• IUPAC Traditional name: clorox
• Synonyms: Chlorous acid

Database IDs

• CAS Number: 13898-47-0
• PubChem SID: 162220878
• PubChem CID: 24453
• CHEBI ID: 29219
• Chemspider ID: 22861
• KEGG ID: C01486
• Wikipedia Title: Chlorous_acid

CALCULATED PROPERTIES

• Acid pKa: -4.570354
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1968207
• LogD (pH = 7.4): -2.1968207
• Log P: 0.17957804
• Molar Refractivity: 10.1438 cm^3
• Polarizability: 4.02021 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• pKa: 1.96