bis(chloromethyl)phosphinic acid

• ChemBase ID: 121546
• Molecular Formular: C2H5Cl2O2P
• Molecular Mass: 162.939661
• Monoisotopic Mass: 161.94042139
• SMILES: P(=O)(CCl)(CCl)O
• Canonical SMILES: ClCP(=O)(CCl)O
• InChI: InChI=1S/C2H5Cl2O2P/c3-1-7(5,6)2-4/h1-2H2,(H,5,6)
• InChIKey: UAYHQZXVMFBCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(chloromethyl)phosphinic acid
• IUPAC Traditional name: dichloromethylphosphinic acid
• Synonyms: bis(chloromethyl)phosphinic acid

Database IDs

• PubChem SID: 162215899
• PubChem CID: 574694

CALCULATED PROPERTIES

• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 1.3038315
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7903823
• LogD (pH = 7.4): -0.7953365
• Log P: 1.4684
• Molar Refractivity: 29.2801 cm^3
• Polarizability: 12.161134 Å^3