1-bromo-3-(1-chloroethyl)benzene

• ChemBase ID: 236359
• Molecular Formular: C8H8BrCl
• Molecular Mass: 219.50612
• Monoisotopic Mass: 217.94978994
• SMILES: c1(cc(Br)ccc1)C(Cl)C
• Canonical SMILES: Brc1cccc(c1)C(Cl)C
• InChI: InChI=1S/C8H8BrCl/c1-6(10)7-3-2-4-8(9)5-7/h2-6H,1H3
• InChIKey: OGXGNMHKGZFHMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(1-chloroethyl)benzene
• IUPAC Traditional name: 1-bromo-3-(1-chloroethyl)benzene
• Synonyms: 1-bromo-3-(1-chloroethyl)benzene

Database IDs

• MDL Number: MFCD11186422
• PubChem SID: 164292269
• PubChem CID: 20361923

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7458155
• LogD (pH = 7.4): 3.7458155
• Log P: 3.7458155
• Molar Refractivity: 47.9665 cm^3
• Polarizability: 18.632957 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.096

Product Information

• Purity: 95%