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

• ChemBase ID: 810950
• Molecular Formular: C10H7Br2NO
• Molecular Mass: 316.97668
• Monoisotopic Mass: 314.88943785
• SMILES: o1c(nc(c1)CBr)c1cc(ccc1)Br
• Canonical SMILES: BrCc1coc(n1)c1cccc(c1)Br
• InChI: InChI=1S/C10H7Br2NO/c11-5-9-6-14-10(13-9)7-2-1-3-8(12)4-7/h1-4,6H,5H2
• InChIKey: PZHPDMVTGQYKEF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.562868
• LogD (pH = 7.4): 3.5628693
• Log P: 3.5628693
• Molar Refractivity: 71.82 cm^3
• Polarizability: 24.098799 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%