1-chloro-4-(2-methylprop-2-en-1-yl)benzene

• ChemBase ID: 73793
• Molecular Formular: C10H11Cl
• Molecular Mass: 166.64734
• Monoisotopic Mass: 166.05492803
• SMILES: Clc1ccc(cc1)CC(=C)C
• Canonical SMILES: CC(=C)Cc1ccc(cc1)Cl
• InChI: InChI=1S/C10H11Cl/c1-8(2)7-9-3-5-10(11)6-4-9/h3-6H,1,7H2,2H3
• InChIKey: VLIILLUQCKLPLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(2-methylprop-2-en-1-yl)benzene
• IUPAC Traditional name: 1-chloro-4-(2-methylprop-2-en-1-yl)benzene
• Synonyms: 3-(4-Chlorophenyl)-2-methylprop-1-ene; 4-(2-Methylprop-2-en-1-yl)chlorobenzene; p-METHALLYLCHLOROBENZENE

Database IDs

• MDL Number: MFCD00045215
• PubChem SID: 162038712
• PubChem CID: 89985

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9192226
• LogD (pH = 7.4): 3.9192226
• Log P: 3.9192226
• Molar Refractivity: 49.4321 cm^3
• Polarizability: 19.325966 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Light Sensitive

DETAILS

MP Biomedicals - 05205591

MP Biomedicals Rare Chemical collection