Cas no 656226-69-6 (2-Thiophenecarboxylic acid,5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]-)

2-Thiophenecarboxylic acid,5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]- structure
656226-69-6 structure
Product Name:2-Thiophenecarboxylic acid,5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]-
CAS No:656226-69-6
MF:C17H13F3N2O2S
MW:366.357533216476
CID:1689939
Update Time:2024-09-03

2-Thiophenecarboxylic acid,5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]- Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxylic acid,5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]-
    • 2-Thiophenecarboxylic acid, 5-[1-[2-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazol-3-yl]-
    • Inchi： 1S/C17H13F3N2O2S/c18-17(19,20)12-3-1-11(2-4-12)7-9-22-10-8-13(21-22)14-5-6-15(25-14)16(23)24/h1-6,8,10H,7,9H2,(H,23,24)
    • InChI Key： SASRDZAAUHHRLX-UHFFFAOYSA-N
    • SMILES： C1(C(O)=O)SC(C2C=CN(CCC3=CC=C(C(F)(F)F)C=C3)N=2)=CC=1

Computed Properties

  • Exact Mass: 366.06509

Experimental Properties

  • Density: 1.41±0.1 g/cm3(Predicted)
  • Boiling Point: 522.8±50.0 °C(Predicted)
  • PSA: 55.12
  • pka: 3.21±0.10(Predicted)

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