1,2,3,4,5,6-hexabromocyclohexane

• ChemBase ID: 109876
• Molecular Formular: C6H6Br6
• Molecular Mass: 557.53584
• Monoisotopic Mass: 551.55697219
• SMILES: BrC1C(Br)C(Br)C(Br)C(Br)C1Br
• Canonical SMILES: BrC1C(Br)C(Br)C(C(C1Br)Br)Br
• InChI: InChI=1S/C6H6Br6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
• InChIKey: QFQZKISCBJKVHI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,5,6-hexabromocyclohexane
• IUPAC Traditional name: 1,2,3,4,5,6-hexabromocyclohexane
• Synonyms: BENZENE HEXABROMIDE

Database IDs

• CAS Number: 1837-91-8
• PubChem SID: 162095367
• PubChem CID: 74603

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.4585133
• LogD (pH = 7.4): 5.4585133
• Log P: 5.4585133
• Molar Refractivity: 71.982 cm^3
• Polarizability: 29.52233 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05212857

MP Biomedicals Rare Chemical collection