[bis(bromomethyl)phosphoryl](bromo)methane

• ChemBase ID: 120441
• Molecular Formular: C3H6Br3OP
• Molecular Mass: 328.764901
• Monoisotopic Mass: 325.77063744
• SMILES: P(=O)(CBr)(CBr)CBr
• Canonical SMILES: BrCP(=O)(CBr)CBr
• InChI: InChI=1S/C3H6Br3OP/c4-1-8(7,2-5)3-6/h1-3H2
• InChIKey: BSGZXKYGLBFWCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(bromomethyl)phosphoryl](bromo)methane
• IUPAC Traditional name: bromo(dibromomethylphosphoryl)methane
• Synonyms: tris(bromomethyl)phosphine oxide

Database IDs

• PubChem SID: 162214794
• PubChem CID: 2771889

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.1554906
• LogD (pH = 7.4): 1.1554906
• Log P: 1.1554906
• Molar Refractivity: 46.0329 cm^3
• Polarizability: 18.795752 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true