5-bromo-2,4-dichloroaniline

• ChemBase ID: 290304
• Molecular Formular: C6H4BrCl2N
• Molecular Mass: 240.91266
• Monoisotopic Mass: 238.89041649
• SMILES: Nc1cc(Br)c(Cl)cc1Cl
• Canonical SMILES: Nc1cc(Br)c(cc1Cl)Cl
• InChI: InChI=1S/C6H4BrCl2N/c7-3-1-6(10)5(9)2-4(3)8/h1-2H,10H2
• InChIKey: XOVRCEWAVBWIGX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromo-2,4-dichloroaniline
• IUPAC Traditional name: 5-bromo-2,4-dichloroaniline
• Synonyms: 5-Bromo-2,4-dichloroaniline

Database IDs

• CAS Number: 258344-01-3
• PubChem SID: 180675835
• PubChem CID: 21559756

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.12112
• LogD (pH = 7.4): 3.1211612
• Log P: 3.121162
• Molar Refractivity: 47.9908 cm^3
• Polarizability: 18.241293 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%