1,2,3,4,6,7-hexabromonaphthalene

• ChemBase ID: 80339
• Molecular Formular: C10H2Br6
• Molecular Mass: 601.54688
• Monoisotopic Mass: 595.52567206
• SMILES: Brc1c(c(c2c(c1Br)cc(c(c2)Br)Br)Br)Br
• Canonical SMILES: Brc1cc2c(cc1Br)c(Br)c(c(c2Br)Br)Br
• InChI: InChI=1S/C10H2Br6/c11-5-1-3-4(2-6(5)12)8(14)10(16)9(15)7(3)13/h1-2H
• InChIKey: GTFBYYPAXJKCMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3,4,6,7-hexabromonaphthalene
• IUPAC Traditional name: 1,2,3,4,6,7-hexabromonaphthalene
• Synonyms: 1,2,3,4,6,7-Hexabromonaphthalene

Database IDs

• MDL Number: MFCD01312171
• PubChem SID: 162067459
• PubChem CID: 53288

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.575238
• LogD (pH = 7.4): 7.575238
• Log P: 7.575238
• Molar Refractivity: 88.245 cm^3
• Polarizability: 35.982155 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant