4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole

• ChemBase ID: 300030
• Molecular Formular: C15H8BrF2NS
• Molecular Mass: 352.1965264
• Monoisotopic Mass: 350.9528887
• SMILES: c1cc(ccc1c1csc(n1)c1ccc(c(c1)F)F)Br
• Canonical SMILES: Brc1ccc(cc1)c1csc(n1)c1ccc(c(c1)F)F
• InChI: InChI=1S/C15H8BrF2NS/c16-11-4-1-9(2-5-11)14-8-20-15(19-14)10-3-6-12(17)13(18)7-10/h1-8H
• InChIKey: MQRBSGAEAXGOMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
• IUPAC Traditional name: 4-(4-bromophenyl)-2-(3,4-difluorophenyl)-1,3-thiazole
• Synonyms: 4-(4-Bromophenyl)-2-(3,4-difluorophenyl)thiazole

Database IDs

• MDL Number: MFCD22682960

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.7439923
• LogD (pH = 7.4): 5.7440405
• Log P: 5.744041
• Molar Refractivity: 89.1878 cm^3
• Polarizability: 31.41656 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501

Product Information

• Purity: 97%