2,5-dibromo-1,3-dimethylbenzene

• ChemBase ID: 180241
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: c1(c(cc(cc1C)Br)C)Br
• Canonical SMILES: Brc1cc(C)c(c(c1)C)Br
• InChI: InChI=1S/C8H8Br2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
• InChIKey: XXFGKGMZLZIPCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-1,3-dimethylbenzene
• IUPAC Traditional name: 2,5-dibromo-1,3-dimethylbenzene
• Synonyms: 2,5-Dibromo-O-M-xylene

Database IDs

• CAS Number: 100189-84-2
• PubChem SID: 164236151
• PubChem CID: 2758047

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.537594
• LogD (pH = 7.4): 4.537594
• Log P: 4.537594
• Molar Refractivity: 51.386 cm^3
• Polarizability: 19.60409 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true