(2,4-dibromo-6-fluorophenyl)methanol

• ChemBase ID: 93402
• Molecular Formular: C7H5Br2FO
• Molecular Mass: 283.9204032
• Monoisotopic Mass: 281.869117
• SMILES: OCc1c(cc(cc1F)Br)Br
• Canonical SMILES: OCc1c(F)cc(cc1Br)Br
• InChI: InChI=1S/C7H5Br2FO/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2,11H,3H2
• InChIKey: RRQJXMYJDDHRFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,4-dibromo-6-fluorophenyl)methanol
• IUPAC Traditional name: (2,4-dibromo-6-fluorophenyl)methanol
• Synonyms: 2,4-Dibromo-6-fluorobenzyl alcohol

Database IDs

• MDL Number: MFCD03094090
• PubChem SID: 162080087
• PubChem CID: 2773974

CALCULATED PROPERTIES

• Acid pKa: 14.265793
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8861032
• LogD (pH = 7.4): 2.8861032
• Log P: 2.8861032
• Molar Refractivity: 48.3359 cm^3
• Polarizability: 18.619026 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant