3,4,5-tribromoaniline

• ChemBase ID: 813138
• Molecular Formular: C6H4Br3N
• Molecular Mass: 329.81466
• Monoisotopic Mass: 326.78938513
• SMILES: Nc1cc(c(c(c1)Br)Br)Br
• Canonical SMILES: Nc1cc(Br)c(c(c1)Br)Br
• InChI: InChI=1S/C6H4Br3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
• InChIKey: FJBYYZKYMWMKRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-tribromoaniline
• IUPAC Traditional name: 3,4,5-tribromoaniline
• Synonyms: 3,4,5-TRIBROMOBENZENAMINE

Database IDs

• CAS Number: 609-16-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4501412
• LogD (pH = 7.4): 3.4505723
• Log P: 3.4505777
• Molar Refractivity: 53.6268 cm^3
• Polarizability: 20.560696 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%