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

• ChemBase ID: 810865
• Molecular Formular: C10H7BrFNS
• Molecular Mass: 272.1366832
• Monoisotopic Mass: 270.94666045
• SMILES: s1c(nc(c1)CBr)c1ccc(cc1)F
• Canonical SMILES: BrCc1csc(n1)c1ccc(cc1)F
• InChI: InChI=1S/C10H7BrFNS/c11-5-9-6-14-10(13-9)7-1-3-8(12)4-2-7/h1-4,6H,5H2
• InChIKey: BUMUOXLDEBOPAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.653578
• LogD (pH = 7.4): 3.6537182
• Log P: 3.6537201
• Molar Refractivity: 68.9126 cm^3
• Polarizability: 22.662542 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%