2-bromo-4-(3-bromo-5-fluorophenyl)-1,3-thiazole

• ChemBase ID: 807462
• Molecular Formular: C9H4Br2FNS
• Molecular Mass: 337.0061632
• Monoisotopic Mass: 334.84152235
• SMILES: s1c(nc(c1)c1cc(cc(c1)F)Br)Br
• Canonical SMILES: Brc1scc(n1)c1cc(F)cc(c1)Br
• InChI: InChI=1S/C9H4Br2FNS/c10-6-1-5(2-7(12)3-6)8-4-14-9(11)13-8/h1-4H
• InChIKey: NNNFUMVATDAGFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-4-(3-bromo-5-fluorophenyl)-1,3-thiazole
• IUPAC Traditional name: 2-bromo-4-(3-bromo-5-fluorophenyl)-1,3-thiazole
• Synonyms: 2-BROMO-4-(3-BROMO-5-FLUORO-PHENYL)-THIAZOLE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.640635
• LogD (pH = 7.4): 4.640636
• Log P: 4.640636
• Molar Refractivity: 61.4946 cm^3
• Polarizability: 24.699717 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%