4,5-dibromobenzene-1,2-diamine

• ChemBase ID: 289758
• Molecular Formular: C6H6Br2N2
• Molecular Mass: 265.93324
• Monoisotopic Mass: 263.8897722
• SMILES: Nc1cc(Br)c(Br)cc1N
• Canonical SMILES: Nc1cc(Br)c(cc1N)Br
• InChI: InChI=1S/C6H6Br2N2/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,9-10H2
• InChIKey: TTXGKCVKGXHPRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5-dibromobenzene-1,2-diamine
• IUPAC Traditional name: 4,5-dibromobenzene-1,2-diamine
• Synonyms: 4,5-Dibromobenzene-1,2-diamine

Database IDs

• CAS Number: 49764-63-8
• PubChem SID: 180675289
• PubChem CID: 12196944

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.8506721
• LogD (pH = 7.4): 1.8528711
• Log P: 1.8528992
• Molar Refractivity: 50.7044 cm^3
• Polarizability: 18.539865 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%