2,6-dibromo-4-chlorophenol

• ChemBase ID: 294153
• Molecular Formular: C6H3Br2ClO
• Molecular Mass: 286.34842
• Monoisotopic Mass: 283.8239164
• SMILES: Oc1c(Br)cc(Cl)cc1Br
• Canonical SMILES: Clc1cc(Br)c(c(c1)Br)O
• InChI: InChI=1S/C6H3Br2ClO/c7-4-1-3(9)2-5(8)6(4)10/h1-2,10H
• InChIKey: WYZQOLPTPZDTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,6-dibromo-4-chlorophenol
• IUPAC Traditional name: 2,6-dibromo-4-chlorophenol
• Synonyms: 2,6-Dibromo-4-chlorophenol

Database IDs

• CAS Number: 5324-13-0
• MDL Number: MFCD00029751
• PubChem SID: 180679684
• PubChem CID: 21394

CALCULATED PROPERTIES

• Acid pKa: 6.250756
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.7408743
• LogD (pH = 7.4): 2.6783295
• Log P: 3.8112304
• Molar Refractivity: 48.0893 cm^3
• Polarizability: 18.927256 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 97%