1-(3-chloro-2-methylphenyl)(2H5)benzene

• ChemBase ID: 164308
• Molecular Formular: C13H11Cl
• Molecular Mass: 202.67944
• Monoisotopic Mass: 202.05492803
• SMILES: c1ccc(cc1)c1cccc(c1C)Cl
• Canonical SMILES: Cc1c(Cl)cccc1c1ccccc1
• InChI: InChI=1S/C13H11Cl/c1-10-12(8-5-9-13(10)14)11-6-3-2-4-7-11/h2-9H,1H3
• InChIKey: JNXJARJANRFDKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-chloro-2-methylphenyl)(^2H₅)benzene
• IUPAC Traditional name: 1-(3-chloro-2-methylphenyl)(^2H₅)benzene
• Synonyms: 3-Chloro-2-methyl-1,1'-biphenyl-d5; 3-Chloro-2-methylbiphenyl-d5

Database IDs

• PubChem SID: 162258443
• PubChem CID: 71314739

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.7379375
• LogD (pH = 7.4): 4.7379375
• Log P: 4.7379375
• Molar Refractivity: 61.0402 cm^3
• Polarizability: 25.016182 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Colourless Oil