2,3-bis(2-chlorophenyl)oxirane

• ChemBase ID: 80778
• Molecular Formular: C14H10Cl2O
• Molecular Mass: 265.1346
• Monoisotopic Mass: 264.0108703
• SMILES: O1C(C1c1c(cccc1)Cl)c1c(cccc1)Cl
• Canonical SMILES: Clc1ccccc1C1OC1c1ccccc1Cl
• InChI: InChI=1S/C14H10Cl2O/c15-11-7-3-1-5-9(11)13-14(17-13)10-6-2-4-8-12(10)16/h1-8,13-14H
• InChIKey: CYHHHQOGWYZTGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3-bis(2-chlorophenyl)oxirane
• IUPAC Traditional name: 2,3-bis(2-chlorophenyl)oxirane
• Synonyms: 2,3-di(2-chlorophenyl)oxirane

Database IDs

• MDL Number: MFCD00117934
• PubChem SID: 162067898
• PubChem CID: 300919

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.729594
• LogD (pH = 7.4): 4.729594
• Log P: 4.729594
• Molar Refractivity: 69.2187 cm^3
• Polarizability: 27.296227 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true