1-bromo-2-methylcycloheptane

• ChemBase ID: 276319
• Molecular Formular: C8H15Br
• Molecular Mass: 191.1087
• Monoisotopic Mass: 190.03571248
• SMILES: C1(C(C)CCCCC1)Br
• Canonical SMILES: CC1CCCCCC1Br
• InChI: InChI=1S/C8H15Br/c1-7-5-3-2-4-6-8(7)9/h7-8H,2-6H2,1H3
• InChIKey: FQZAOSUGDHWARG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-methylcycloheptane
• IUPAC Traditional name: 1-bromo-2-methylcycloheptane
• Synonyms: 1-bromo-2-methylcycloheptane

Database IDs

• MDL Number: MFCD16092575
• PubChem SID: 164332229
• PubChem CID: 54350428

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.630322
• LogD (pH = 7.4): 3.630322
• Log P: 3.630322
• Molar Refractivity: 44.3826 cm^3
• Polarizability: 17.390095 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.405

Product Information

• Purity: 95%