1,3-dibromo-2-methylprop-1-ene

• ChemBase ID: 166985
• Molecular Formular: C4H6Br2
• Molecular Mass: 213.89844
• Monoisotopic Mass: 211.88362419
• SMILES: BrCC(=CBr)C
• Canonical SMILES: BrCC(=CBr)C
• InChI: InChI=1S/C4H6Br2/c1-4(2-5)3-6/h2H,3H2,1H3
• InChIKey: ZGUSGHWDLWVHBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dibromo-2-methylprop-1-ene
• IUPAC Traditional name: 1,3-dibromo-2-methylprop-1-ene
• Synonyms: 1,3-Dibromo-2-methyl-1-propene; NSC 148246; 1,3-Dibromo-2-methylpropene(E/Z Mixture)

Database IDs

• CAS Number: 35911-17-2
• PubChem SID: 162261118
• PubChem CID: 287956

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4780266
• LogD (pH = 7.4): 2.4780266
• Log P: 2.4780266
• Molar Refractivity: 35.3601 cm^3
• Polarizability: 13.6821375 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true