2-bromo-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole

• ChemBase ID: 807446
• Molecular Formular: C10H5BrF3NOS
• Molecular Mass: 324.1170096
• Monoisotopic Mass: 322.92273145
• SMILES: s1c(nc(c1)c1ccc(cc1)OC(F)(F)F)Br
• Canonical SMILES: Brc1scc(n1)c1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C10H5BrF3NOS/c11-9-15-8(5-17-9)6-1-3-7(4-2-6)16-10(12,13)14/h1-5H
• InChIKey: YLLXPPMKAGWLHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
• IUPAC Traditional name: 2-bromo-4-[4-(trifluoromethoxy)phenyl]-1,3-thiazole
• Synonyms: 2-BROMO-4-(4-TRIFLUOROMETHOXY-PHENYL)-THIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.160292
• LogD (pH = 7.4): 5.160293
• Log P: 5.160293
• Molar Refractivity: 56.7257 cm^3
• Polarizability: 24.0282 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%