1-chloro-4-(1-phenylethenyl)benzene

• ChemBase ID: 797949
• Molecular Formular: C14H11Cl
• Molecular Mass: 214.69014
• Monoisotopic Mass: 214.05492803
• SMILES: c1(ccc(cc1)C(=C)c1ccccc1)Cl
• Canonical SMILES: Clc1ccc(cc1)C(=C)c1ccccc1
• InChI: InChI=1S/C14H11Cl/c1-11(12-5-3-2-4-6-12)13-7-9-14(15)10-8-13/h2-10H,1H2
• InChIKey: QRSXZQQKWIHIHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(1-phenylethenyl)benzene
• IUPAC Traditional name: 1-chloro-4-(1-phenylethenyl)benzene
• Synonyms: 1-Chloro-4-(1-phenyl-vinyl)-benzene

Database IDs

• CAS Number: 18218-20-7

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.747191
• LogD (pH = 7.4): 4.747191
• Log P: 4.747191
• Molar Refractivity: 74.1018 cm^3
• Polarizability: 25.336483 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%