1,2-dibromocyclohexane

• ChemBase ID: 109144
• Molecular Formular: C6H10Br2
• Molecular Mass: 241.9516
• Monoisotopic Mass: 239.91492432
• SMILES: BrC1CCCCC1Br
• Canonical SMILES: BrC1CCCCC1Br
• InChI: InChI=1S/C6H10Br2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4H2
• InChIKey: CZNHKZKWKJNOTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dibromocyclohexane
• IUPAC Traditional name: 1,2-dibromocyclohexane
• Synonyms: 1,2-DIBROMOCYCLOHEXANE

Database IDs

• CAS Number: 5401-62-7
• EC Number: 226-449-4
• MDL Number: MFCD00066781
• PubChem SID: 162095139
• PubChem CID: 95314

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.285964
• LogD (pH = 7.4): 3.285964
• Log P: 3.285964
• Molar Refractivity: 42.706 cm^3
• Polarizability: 16.785107 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%

DETAILS

MP Biomedicals - 05209989

MP Biomedicals Rare Chemical collection