(2S)-2-(4-chlorophenyl)oxirane

• ChemBase ID: 246556
• Molecular Formular: C8H7ClO
• Molecular Mass: 154.59358
• Monoisotopic Mass: 154.01854252
• SMILES: O1[C@H](C1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)[C@@H]1OC1
• InChI: InChI=1S/C8H7ClO/c9-7-3-1-6(2-4-7)8-5-10-8/h1-4,8H,5H2/t8-/m1/s1
• InChIKey: IBWLXNDOMYKTAD-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-(4-chlorophenyl)oxirane
• IUPAC Traditional name: (2S)-2-(4-chlorophenyl)oxirane
• Synonyms: (2S)-2-(4-chlorophenyl)oxirane

Database IDs

• MDL Number: MFCD07375467
• PubChem SID: 164302466
• PubChem CID: 11105582

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.3413093
• LogD (pH = 7.4): 2.3413093
• Log P: 2.3413093
• Molar Refractivity: 40.1311 cm^3
• Polarizability: 15.833892 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.999

Product Information

• Purity: 95%