(bromomethyl)cycloheptane

• ChemBase ID: 246547
• Molecular Formular: C8H15Br
• Molecular Mass: 191.1087
• Monoisotopic Mass: 190.03571248
• SMILES: BrCC1CCCCCC1
• Canonical SMILES: BrCC1CCCCCC1
• InChI: InChI=1S/C8H15Br/c9-7-8-5-3-1-2-4-6-8/h8H,1-7H2
• InChIKey: ZPGBMJCYYSEZBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (bromomethyl)cycloheptane
• IUPAC Traditional name: (bromomethyl)cycloheptane
• Synonyms: (bromomethyl)cycloheptane

Database IDs

• MDL Number: MFCD12025292
• PubChem SID: 164302457
• PubChem CID: 23000753

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.580362
• LogD (pH = 7.4): 3.580362
• Log P: 3.580362
• Molar Refractivity: 44.6418 cm^3
• Polarizability: 17.388346 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.285

Product Information

• Purity: 95%