(1-chlorocyclopropyl)benzene

• ChemBase ID: 282699
• Molecular Formular: C9H9Cl
• Molecular Mass: 152.62076
• Monoisotopic Mass: 152.03927797
• SMILES: C1(CC1)(c1ccccc1)Cl
• Canonical SMILES: ClC1(CC1)c1ccccc1
• InChI: InChI=1S/C9H9Cl/c10-9(6-7-9)8-4-2-1-3-5-8/h1-5H,6-7H2
• InChIKey: SUVKLPMDBMSOOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-chlorocyclopropyl)benzene
• IUPAC Traditional name: (1-chlorocyclopropyl)benzene
• Synonyms: (1-chlorocyclopropyl)benzene

Database IDs

• MDL Number: MFCD17010979
• PubChem SID: 180668230
• PubChem CID: 14147108

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9498212
• LogD (pH = 7.4): 2.9498212
• Log P: 2.9498212
• Molar Refractivity: 43.0257 cm^3
• Polarizability: 16.937723 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.268

Product Information

• Purity: 95%