3-(5-Bromo-2-thienyl)-1-methyl-5-(trifluoromethyl)-1h-pyrazole

• Catalog: OFC683274579
• CAS: 683274-57-9
• Category: Fluorinated Thiophenes
• Synonyms: 3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
• MDL Number: MFCD01570516

• IUPAC Name: 3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
• InChI: InChI=1S/C9H6BrF3N2S/c1-15-7(9(11,12)13)4-5(14-15)6-2-3-8(10)16-6/h2-4H,1H3
• InChI Key: CWMFRUPCHXXCOD-UHFFFAOYSA-N
• Isomeric SMILES: CN1C(=CC(=N1)C2=CC=C(S2)Br)C(F)(F)F

• Molecular Formula: C9H6BrF3N2S
• Molecular Weight: 311.12

• XLogP3-AA: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 309.93872 g/mol
• Monoisotopic Mass: 309.93872 g/mol
• Topological Polar Surface Area: 46.1Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 264