3,5-dibromoaniline hydrochloride

• ChemBase ID: 75688
• Molecular Formular: C6H6Br2ClN
• Molecular Mass: 287.37954
• Monoisotopic Mass: 284.85555088
• SMILES: Nc1cc(cc(c1)Br)Br.Cl
• Canonical SMILES: Nc1cc(Br)cc(c1)Br.Cl
• InChI: InChI=1S/C6H5Br2N.ClH/c7-4-1-5(8)3-6(9)2-4;/h1-3H,9H2;1H
• InChIKey: AFXICROPABGNNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromoaniline hydrochloride
• IUPAC Traditional name: 3,5-dibromoaniline hydrochloride
• Synonyms: 3,5-Dibromoaniline hydrochloride

Database IDs

• CAS Number: 188349-40-8
• MDL Number: MFCD09800855
• PubChem SID: 162040606
• PubChem CID: 44118613

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6808004
• LogD (pH = 7.4): 2.6818123
• Log P: 2.6818252
• Molar Refractivity: 46.004 cm^3
• Polarizability: 17.354198 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant