1-(1-bromoethyl)-3-chlorobenzene

• ChemBase ID: 262144
• Molecular Formular: C8H8BrCl
• Molecular Mass: 219.50612
• Monoisotopic Mass: 217.94978994
• SMILES: c1(cc(Cl)ccc1)C(Br)C
• Canonical SMILES: Clc1cccc(c1)C(Br)C
• InChI: InChI=1S/C8H8BrCl/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,1H3
• InChIKey: GYMHOIORCMJXQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-bromoethyl)-3-chlorobenzene
• IUPAC Traditional name: 1-(1-bromoethyl)-3-chlorobenzene
• Synonyms: 1-(1-bromoethyl)-3-chlorobenzene

Database IDs

• MDL Number: MFCD11103128
• PubChem SID: 164318054
• PubChem CID: 9920855

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.7666028
• LogD (pH = 7.4): 3.7666028
• Log P: 3.7666028
• Molar Refractivity: 48.132 cm^3
• Polarizability: 18.586466 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.166

Product Information

• Purity: 95%