(2-bromoethyl)cyclopentane

• ChemBase ID: 279346
• Molecular Formular: C7H13Br
• Molecular Mass: 177.08212
• Monoisotopic Mass: 176.02006242
• SMILES: BrCCC1CCCC1
• Canonical SMILES: BrCCC1CCCC1
• InChI: InChI=1S/C7H13Br/c8-6-5-7-3-1-2-4-7/h7H,1-6H2
• InChIKey: GYZRFKCNMIPTEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)cyclopentane
• IUPAC Traditional name: (2-bromoethyl)cyclopentane
• Synonyms: (2-bromoethyl)cyclopentane

Database IDs

• MDL Number: MFCD12405625
• PubChem SID: 164335256
• PubChem CID: 12711948

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.0578396
• LogD (pH = 7.4): 3.0578396
• Log P: 3.0578396
• Molar Refractivity: 40.1178 cm^3
• Polarizability: 15.571774 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.696

Product Information

• Purity: 95%