(bromomethyl)cyclopentane

• ChemBase ID: 78422
• Molecular Formular: C6H11Br
• Molecular Mass: 163.05554
• Monoisotopic Mass: 162.00441235
• SMILES: BrCC1CCCC1
• Canonical SMILES: BrCC1CCCC1
• InChI: InChI=1S/C6H11Br/c7-5-6-3-1-2-4-6/h6H,1-5H2
• InChIKey: XYZUWOHEILWUID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (bromomethyl)cyclopentane
• IUPAC Traditional name: (bromomethyl)cyclopentane
• Synonyms: Cyclopentylmethyl bromide; (Bromomethyl)cyclopentane

Database IDs

• CAS Number: 3814-30-0
• MDL Number: MFCD09263483
• PubChem SID: 162043189
• PubChem CID: 12723264

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6912246
• LogD (pH = 7.4): 2.6912246
• Log P: 2.6912246
• Molar Refractivity: 35.4398 cm^3
• Polarizability: 13.761442 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.167

Safety Information

• Storage Warning: Flammable/Harmful/Irritant

Product Information

• Purity: 95%; 95+%