1-bromo-3-(2-bromoprop-2-en-1-yl)benzene

• ChemBase ID: 73746
• Molecular Formular: C9H8Br2
• Molecular Mass: 275.96782
• Monoisotopic Mass: 273.89927426
• SMILES: BrC(=C)Cc1cc(ccc1)Br
• Canonical SMILES: BrC(=C)Cc1cccc(c1)Br
• InChI: InChI=1S/C9H8Br2/c1-7(10)5-8-3-2-4-9(11)6-8/h2-4,6H,1,5H2
• InChIKey: NFZYCGQKZPZZOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(2-bromoprop-2-en-1-yl)benzene
• IUPAC Traditional name: 1-bromo-3-(2-bromoprop-2-en-1-yl)benzene
• Synonyms: 2-Bromo-3-(3-bromophenyl)prop-1-ene; 3-(2-Bromoprop-2-en-1-yl)bromobenzene

Database IDs

• MDL Number: MFCD00671872
• PubChem SID: 162038665
• PubChem CID: 24721713

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0861325
• LogD (pH = 7.4): 4.0861325
• Log P: 4.0861325
• Molar Refractivity: 55.6563 cm^3
• Polarizability: 21.198666 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true