(2-bromoethyl)cyclopropane

• ChemBase ID: 283925
• Molecular Formular: C5H9Br
• Molecular Mass: 149.02896
• Monoisotopic Mass: 147.98876229
• SMILES: C1CC1CCBr
• Canonical SMILES: BrCCC1CC1
• InChI: InChI=1S/C5H9Br/c6-4-3-5-1-2-5/h5H,1-4H2
• InChIKey: RIYFONBSYWACFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)cyclopropane
• IUPAC Traditional name: (2-bromoethyl)cyclopropane
• Synonyms: (2-bromoethyl)cyclopropane; (2-Bromo-ethyl)-cyclopropane

Database IDs

• CAS Number: 36982-56-6
• MDL Number: MFCD16860592
• PubChem SID: 180669456
• PubChem CID: 22636989

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.1687024
• LogD (pH = 7.4): 2.1687024
• Log P: 2.1687024
• Molar Refractivity: 30.9158 cm^3
• Polarizability: 11.9587555 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.578

Product Information

• Purity: 95%; 98%