1-(4-chlorophenyl)cyclopentane-1-carbonyl chloride

• ChemBase ID: 124688
• Molecular Formular: C12H12Cl2O
• Molecular Mass: 243.12908
• Monoisotopic Mass: 242.02652036
• SMILES: C1(C(=O)Cl)(c2ccc(cc2)Cl)CCCC1
• Canonical SMILES: Clc1ccc(cc1)C1(CCCC1)C(=O)Cl
• InChI: InChI=1S/C12H12Cl2O/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2
• InChIKey: RZHJJILZUKNEKM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-chlorophenyl)cyclopentane-1-carbonyl chloride
• IUPAC Traditional name: 1-(4-chlorophenyl)cyclopentane-1-carbonyl chloride
• Synonyms: 1-(4-chlorophenyl)cyclopentanecarbonyl chloride

Database IDs

• PubChem SID: 162219041
• PubChem CID: 2723774

CALCULATED PROPERTIES

• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.2727804
• LogD (pH = 7.4): 4.2727804
• Log P: 4.2727804
• Molar Refractivity: 62.5042 cm^3
• Polarizability: 24.455658 Å^3