(2-bromoethylidene)cyclobutane

• ChemBase ID: 247897
• Molecular Formular: C6H9Br
• Molecular Mass: 161.03966
• Monoisotopic Mass: 159.98876229
• SMILES: C1(=CCBr)CCC1
• Canonical SMILES: BrCC=C1CCC1
• InChI: InChI=1S/C6H9Br/c7-5-4-6-2-1-3-6/h4H,1-3,5H2
• InChIKey: BBLAJMQEKRCPGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethylidene)cyclobutane
• IUPAC Traditional name: (2-bromoethylidene)cyclobutane
• Synonyms: (2-bromoethylidene)cyclobutane

Database IDs

• MDL Number: MFCD20622567
• PubChem SID: 164303807
• PubChem CID: 18670367

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.3635988
• LogD (pH = 7.4): 2.3635988
• Log P: 2.3635988
• Molar Refractivity: 36.2128 cm^3
• Polarizability: 13.509229 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.653

Product Information

• Purity: 95%