2-amino-4,5-dibromophenol

• ChemBase ID: 294671
• Molecular Formular: C6H5Br2NO
• Molecular Mass: 266.918
• Monoisotopic Mass: 264.87378779
• SMILES: Oc1cc(Br)c(Br)cc1N
• Canonical SMILES: Oc1cc(Br)c(cc1N)Br
• InChI: InChI=1S/C6H5Br2NO/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H,9H2
• InChIKey: FLJGRKJRMHAKMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4,5-dibromophenol
• IUPAC Traditional name: 2-amino-4,5-dibromophenol
• Synonyms: 2-Amino-4,5-dibromophenol

Database IDs

• CAS Number: 1037298-16-0
• PubChem SID: 180680202
• PubChem CID: 72183434

CALCULATED PROPERTIES

• Acid pKa: 9.184079
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3759863
• LogD (pH = 7.4): 2.3711503
• Log P: 2.37826
• Molar Refractivity: 47.9849 cm^3
• Polarizability: 18.09039 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%