(1-chloroethyl)cyclopropane

• ChemBase ID: 286062
• Molecular Formular: C5H9Cl
• Molecular Mass: 104.57796
• Monoisotopic Mass: 104.03927797
• SMILES: C1(CC1)C(Cl)C
• Canonical SMILES: CC(C1CC1)Cl
• InChI: InChI=1S/C5H9Cl/c1-4(6)5-2-3-5/h4-5H,2-3H2,1H3
• InChIKey: OLLKVCSBIYCEAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-chloroethyl)cyclopropane
• IUPAC Traditional name: (1-chloroethyl)cyclopropane
• Synonyms: (1-chloroethyl)cyclopropane

Database IDs

• MDL Number: MFCD11186424
• PubChem SID: 180671593
• PubChem CID: 12627052

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0331671
• LogD (pH = 7.4): 2.0331671
• Log P: 2.0331671
• Molar Refractivity: 27.6731 cm^3
• Polarizability: 11.031027 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.438

Product Information

• Purity: 95%