1,4-dibromocyclohexane

• ChemBase ID: 107827
• Molecular Formular: C6H10Br2
• Molecular Mass: 241.9516
• Monoisotopic Mass: 239.91492432
• SMILES: BrC1CCC(Br)CC1
• Canonical SMILES: BrC1CCC(CC1)Br
• InChI: InChI=1S/C6H10Br2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2
• InChIKey: OALGWDQLKYPDRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dibromocyclohexane
• IUPAC Traditional name: 1,4-dibromocyclohexane
• Synonyms: 1,4-DIBROMOCYCLOHEXANE

Database IDs

• CAS Number: 35076-92-7
• PubChem SID: 162093972
• PubChem CID: 37040

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.9741492
• LogD (pH = 7.4): 2.9741492
• Log P: 2.9741492
• Molar Refractivity: 43.014 cm^3
• Polarizability: 16.784086 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05205158

MP Biomedicals Rare Chemical collection