2-(bromomethyl)bicyclo[2.2.1]heptane

• ChemBase ID: 286496
• Molecular Formular: C8H13Br
• Molecular Mass: 189.09282
• Monoisotopic Mass: 188.02006242
• SMILES: C12C(CC(C1)CC2)CBr
• Canonical SMILES: BrCC1CC2CC1CC2
• InChI: InChI=1S/C8H13Br/c9-5-8-4-6-1-2-7(8)3-6/h6-8H,1-5H2
• InChIKey: CKZCOAFUOGZKIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)bicyclo[2.2.1]heptane
• IUPAC Traditional name: 2-(bromomethyl)bicyclo[2.2.1]heptane
• Synonyms: 2-(bromomethyl)bicyclo[2.2.1]heptane

Database IDs

• MDL Number: MFCD16860589
• PubChem SID: 180672027
• PubChem CID: 12625653

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.801537
• LogD (pH = 7.4): 2.801537
• Log P: 2.801537
• Molar Refractivity: 42.7348 cm^3
• Polarizability: 16.686874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.001

Product Information

• Purity: 95%