(4-bromocyclohexyl)benzene

• ChemBase ID: 259401
• Molecular Formular: C12H15Br
• Molecular Mass: 239.1515
• Monoisotopic Mass: 238.03571248
• SMILES: C1(c2ccccc2)CCC(CC1)Br
• Canonical SMILES: BrC1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C12H15Br/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
• InChIKey: NDRGPZJGGPICOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-bromocyclohexyl)benzene
• IUPAC Traditional name: (4-bromocyclohexyl)benzene
• Synonyms: (4-bromocyclohexyl)benzene

Database IDs

• MDL Number: MFCD11103133
• PubChem SID: 164315311
• PubChem CID: 17768330

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.241604
• LogD (pH = 7.4): 4.241604
• Log P: 4.241604
• Molar Refractivity: 59.9536 cm^3
• Polarizability: 23.15923 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.735

Product Information

• Purity: 95%