methyl bis(bromomethyl)phosphinate

• ChemBase ID: 121493
• Molecular Formular: C3H7Br2O2P
• Molecular Mass: 265.868241
• Monoisotopic Mass: 263.85504009
• SMILES: P(=O)(CBr)(CBr)OC
• Canonical SMILES: BrCP(=O)(CBr)OC
• InChI: InChI=1S/C3H7Br2O2P/c1-7-8(6,2-4)3-5/h2-3H2,1H3
• InChIKey: HWWUHMWRSRTOQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl bis(bromomethyl)phosphinate
• IUPAC Traditional name: methyl dibromomethylphosphinate
• Synonyms: methyl bis(bromomethyl)phosphinate

Database IDs

• PubChem SID: 162215846
• PubChem CID: 2772095

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3229
• LogD (pH = 7.4): 2.3229
• Log P: 2.3229
• Molar Refractivity: 39.7294 cm^3
• Polarizability: 16.429846 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true