1-benzyl-4-(chloromethyl)benzene

• ChemBase ID: 289981
• Molecular Formular: C14H13Cl
• Molecular Mass: 216.70602
• Monoisotopic Mass: 216.0705781
• SMILES: ClCc1ccc(Cc2ccccc2)cc1
• Canonical SMILES: ClCc1ccc(cc1)Cc1ccccc1
• InChI: InChI=1S/C14H13Cl/c15-11-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9H,10-11H2
• InChIKey: VYNOLHAQTWUNLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-(chloromethyl)benzene
• IUPAC Traditional name: 1-benzyl-4-(chloromethyl)benzene
• Synonyms: 1-Benzyl-4-(chloromethyl)benzene

Database IDs

• CAS Number: 14297-39-3
• PubChem SID: 180675512
• PubChem CID: 84334

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.6522818
• LogD (pH = 7.4): 4.6522818
• Log P: 4.6522818
• Molar Refractivity: 65.6621 cm^3
• Polarizability: 25.370377 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%