4-bromo-2,3-dimethylphenol

• ChemBase ID: 310202
• Molecular Formular: C8H9BrO
• Molecular Mass: 201.06046
• Monoisotopic Mass: 199.98367691
• SMILES: c1(c(c(ccc1Br)O)C)C
• Canonical SMILES: Oc1ccc(c(c1C)C)Br
• InChI: InChI=1S/C8H9BrO/c1-5-6(2)8(10)4-3-7(5)9/h3-4,10H,1-2H3
• InChIKey: MOKFDXJOXUHQNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromo-2,3-dimethylphenol
• IUPAC Traditional name: 4-bromo-2,3-dimethylphenol
• Synonyms: 4-bromo-2,3-dimethylphenol

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4652398
• LogD (pH = 7.4): 3.4624195
• Log P: 3.465276
• Molar Refractivity: 45.7441 cm^3
• Polarizability: 17.259418 Å^3
• Polar Surface Area: 20.23 Å^2