4-(bromomethyl)-2-(2-fluorophenyl)-1,3-oxazole

• ChemBase ID: 811006
• Molecular Formular: C10H7BrFNO
• Molecular Mass: 256.0710832
• Monoisotopic Mass: 254.96950407
• SMILES: o1c(nc(c1)CBr)c1c(cccc1)F
• Canonical SMILES: BrCc1coc(n1)c1ccccc1F
• InChI: InChI=1S/C10H7BrFNO/c11-5-7-6-14-10(13-7)8-3-1-2-4-9(8)12/h1-4,6H,5H2
• InChIKey: VZIRXATZHGGLQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-2-(2-fluorophenyl)-1,3-oxazole
• IUPAC Traditional name: 4-(bromomethyl)-2-(2-fluorophenyl)-1,3-oxazole
• Synonyms: 4-BROMOMETHYL-2-(2-FLUORO-PHENYL)-OXAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9368181
• LogD (pH = 7.4): 2.9368186
• Log P: 2.9368186
• Molar Refractivity: 64.4136 cm^3
• Polarizability: 20.90644 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%