methyl(propan-2-yloxy)phosphinoyl chloride

• ChemBase ID: 126543
• Molecular Formular: C4H10ClO2P
• Molecular Mass: 156.547761
• Monoisotopic Mass: 156.01069387
• SMILES: ClP(=O)(OC(C)C)C
• Canonical SMILES: CC(OP(=O)(Cl)C)C
• InChI: InChI=1S/C4H10ClO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3
• InChIKey: RHAHLPAWJVKXAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(propan-2-yloxy)phosphinoyl chloride
• IUPAC Traditional name: isopropoxy(methyl)phosphinoyl chloride
• Synonyms: O-Isopropyl methylphosphonochloridate; isopropyl methylphosphonic chloride; Chlorosarin

Database IDs

• CAS Number: 1445-76-7
• PubChem SID: 162220875
• PubChem CID: 102124
• Chemspider ID: 92259
• Wikipedia Title: Chlorosarin

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.0754124
• LogD (pH = 7.4): 1.0754124
• Log P: 1.0754124
• Molar Refractivity: 34.3994 cm^3
• Polarizability: 14.0633955 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true