1-[4-(Trifluoromethyl)pyrimidin-2-yl]-1H-pyrazole-4-sulphonyl chloride

• Catalog: OFC1215564150
• CAS: 1215564-15-0
• Category: Fluorinated Pyrimidines
• MDL Number: MFCD11505058

• IUPAC Name: 1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazole-4-sulfonyl chloride
• InChI: InChI=1S/C8H4ClF3N4O2S/c9-19(17,18)5-3-14-16(4-5)7-13-2-1-6(15-7)8(10,11)12/h1-4H
• InChI Key: SADUDBJMXGGXDE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CN=C(N=C1C(F)(F)F)N2C=C(C=N2)S(=O)(=O)Cl

• Molecular Formula: C8H4ClF3N4O2S
• Molecular Weight: 312.66

• XLogP3-AA: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 311.9695587 g/mol
• Monoisotopic Mass: 311.9695587 g/mol
• Topological Polar Surface Area: 86.1Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 427