1,3,5-tribromo-2,4,6-trichlorobenzene

• ChemBase ID: 137620
• Molecular Formular: C6Br3Cl3
• Molecular Mass: 418.1352
• Monoisotopic Mass: 413.66156904
• SMILES: c1(c(c(c(c(c1Br)Cl)Br)Cl)Br)Cl
• Canonical SMILES: Clc1c(Br)c(Cl)c(c(c1Br)Cl)Br
• InChI: InChI=1S/C6Br3Cl3/c7-1-4(10)2(8)6(12)3(9)5(1)11
• InChIKey: QOBBHAMPBAWXQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-tribromo-2,4,6-trichlorobenzene
• IUPAC Traditional name: 1,3,5-tribromo-2,4,6-trichlorobenzene
• Synonyms: 1,3,5-Tribromo-2,4,6-trichlorobenzene; 1,3,5-三溴-2,4,6-三氯苯

Database IDs

• CAS Number: 13075-02-0
• MDL Number: MFCD00000586
• PubChem SID: 162231882
• PubChem CID: 22311457

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.0916376
• LogD (pH = 7.4): 6.0916376
• Log P: 6.0916376
• Molar Refractivity: 63.3408 cm^3
• Polarizability: 25.522663 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%
• Empirical Formula (Hill Notation): C6Br3Cl3