2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole

• ChemBase ID: 249590
• Molecular Formular: C10H7BrFNO
• Molecular Mass: 256.0710832
• Monoisotopic Mass: 254.96950407
• SMILES: c1(oc(nc1)CBr)c1ccc(cc1)F
• Canonical SMILES: BrCc1ncc(o1)c1ccc(cc1)F
• InChI: InChI=1S/C10H7BrFNO/c11-5-10-13-6-9(14-10)7-1-3-8(12)4-2-7/h1-4,6H,5H2
• InChIKey: WGLQYADVKZNXHC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole
• IUPAC Traditional name: 2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole
• Synonyms: 2-(bromomethyl)-5-(4-fluorophenyl)-1,3-oxazole

Database IDs

• MDL Number: MFCD06655929
• PubChem SID: 164305500
• PubChem CID: 4962511

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.4709675
• LogD (pH = 7.4): 2.4709694
• Log P: 2.4709694
• Molar Refractivity: 54.1749 cm^3
• Polarizability: 21.512016 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 30 - 41°C
• Hydrophobicity(logP): 2.861

Product Information

• Purity: 95%