1-chloro-4-(2,2-dichlorocyclopropyl)benzene

• ChemBase ID: 83408
• Molecular Formular: C9H7Cl3
• Molecular Mass: 221.51088
• Monoisotopic Mass: 219.96133326
• SMILES: ClC1(C(c2ccc(cc2)Cl)C1)Cl
• Canonical SMILES: Clc1ccc(cc1)C1CC1(Cl)Cl
• InChI: InChI=1S/C9H7Cl3/c10-7-3-1-6(2-4-7)8-5-9(8,11)12/h1-4,8H,5H2
• InChIKey: YOTVMUGBFWLTAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-chloro-4-(2,2-dichlorocyclopropyl)benzene
• IUPAC Traditional name: 1-chloro-4-(2,2-dichlorocyclopropyl)benzene
• Synonyms: 1-chloro-4-(2,2-dichlorocyclopropyl)benzene

Database IDs

• MDL Number: MFCD00100728
• PubChem SID: 162070526
• PubChem CID: 2780246

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9045887
• LogD (pH = 7.4): 3.9045887
• Log P: 3.9045887
• Molar Refractivity: 53.552 cm^3
• Polarizability: 20.617842 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true