1,5-dibromo-3-fluoro-2-methoxybenzene

• ChemBase ID: 100030
• Molecular Formular: C7H5Br2FO
• Molecular Mass: 283.9204032
• Monoisotopic Mass: 281.869117
• SMILES: O(c1c(cc(cc1F)Br)Br)C
• Canonical SMILES: COc1c(F)cc(cc1Br)Br
• InChI: InChI=1S/C7H5Br2FO/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
• InChIKey: AUZLPBBXLAWQLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-dibromo-3-fluoro-2-methoxybenzene
• IUPAC Traditional name: 1,5-dibromo-3-fluoro-2-methoxybenzene
• Synonyms: 2,4-Dibromo-6-fluoroanisole

Database IDs

• MDL Number: MFCD00070788
• PubChem SID: 162086372
• PubChem CID: 2773964

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.4957817
• LogD (pH = 7.4): 3.4957817
• Log P: 3.4957817
• Molar Refractivity: 47.9832 cm^3
• Polarizability: 18.676517 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant