Methyl 2-({[2-chloro-4-(trifluoromethyl)pyrimidin-5-yl]carbonyl}amino)thiophene-3-carboxylate

• Catalog: OFC524924274
• CAS: 524924-27-4
• Category: Fluorinated Thiophenes
• MDL Number: MFCD00816632

• IUPAC Name: methyl 2-[[2-chloro-4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]thiophene-3-carboxylate
• InChI: InChI=1S/C12H7ClF3N3O3S/c1-22-10(21)5-2-3-23-9(5)19-8(20)6-4-17-11(13)18-7(6)12(14,15)16/h2-4H,1H3,(H,19,20)
• InChI Key: PHHJDWSBUKRMAX-UHFFFAOYSA-N
• Isomeric SMILES: COC(=O)C1=C(SC=C1)NC(=O)C2=CN=C(N=C2C(F)(F)F)Cl

• Molecular Formula: C12H7ClF3N3O3S
• Molecular Weight: 365.72

• XLogP3-AA: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 364.9848744 g/mol
• Monoisotopic Mass: 364.9848744 g/mol
• Topological Polar Surface Area: 109Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 469