hydroxycarbonyl chloride

• ChemBase ID: 126530
• Molecular Formular: CHClO2
• Molecular Mass: 80.47044
• Monoisotopic Mass: 79.96650695
• SMILES: ClC(=O)O
• Canonical SMILES: OC(=O)Cl
• InChI: InChI=1S/CHClO2/c2-1(3)4/h(H,3,4)
• InChIKey: AOGYCOYQMAVAFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hydroxycarbonyl chloride
• IUPAC Traditional name: hydroxycarbonyl chloride
• Synonyms: Chlorocarbonic acid; Chloroformic acid

Database IDs

• CAS Number: 463-73-0
• PubChem SID: 162220862
• PubChem CID: 164602
• Chemspider ID: 144299
• Wikipedia Title: Chloroformic_acid

CALCULATED PROPERTIES

• Acid pKa: 0.26644215
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.737589
• LogD (pH = 7.4): -2.7459786
• Log P: 0.783381
• Molar Refractivity: 13.3567 cm^3
• Polarizability: 5.2805767 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true