1-(1-bromopropyl)-4-chlorobenzene

• ChemBase ID: 264486
• Molecular Formular: C9H10BrCl
• Molecular Mass: 233.5327
• Monoisotopic Mass: 231.96544
• SMILES: c1(ccc(cc1)Cl)C(Br)CC
• Canonical SMILES: CCC(c1ccc(cc1)Cl)Br
• InChI: InChI=1S/C9H10BrCl/c1-2-9(10)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
• InChIKey: OYKWFHPKDHJXFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-bromopropyl)-4-chlorobenzene
• IUPAC Traditional name: 1-(1-bromopropyl)-4-chlorobenzene
• Synonyms: 1-(1-bromopropyl)-4-chlorobenzene

Database IDs

• MDL Number: MFCD11180266
• PubChem SID: 164320396
• PubChem CID: 13903632

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2891254
• LogD (pH = 7.4): 4.2891254
• Log P: 4.2891254
• Molar Refractivity: 52.656 cm^3
• Polarizability: 20.400959 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.695

Product Information

• Purity: 95%