Cas no 1286734-79-9 (Methyl 2-(trifluoromethyl)thiazole-4-carboxylate)

Methyl 2-(trifluoromethyl)thiazole-4-carboxylate structure
1286734-79-9 structure
Product Name:Methyl 2-(trifluoromethyl)thiazole-4-carboxylate
CAS No:1286734-79-9
MF:C6H4F3NO2S
MW:211.161670684814
CID:4727000
PubChem ID:53395649
Update Time:2024-11-02

Methyl 2-(trifluoromethyl)thiazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 2-(trifluoromethyl)thiazole-4-carboxylate
    • 4-(Methoxycarbonyl)-2-(trifluoromethyl)-1,3-thiazole
    • Methyl 2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
    • 4-Thiazolecarboxylic acid, 2-(trifluoromethyl)-, methyl ester
    • DYVSZYDFRKPHFK-UHFFFAOYSA-N
    • DTXSID301181987
    • 1286734-79-9
    • Methyl2-(trifluoromethyl)thiazole-4-carboxylate
    • SY346028
    • SCHEMBL15156713
    • MFCD18632533
    • Inchi: 1S/C6H4F3NO2S/c1-12-4(11)3-2-13-5(10-3)6(7,8)9/h2H,1H3
    • InChI Key: DYVSZYDFRKPHFK-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)OC)N=C1C(F)(F)F

Computed Properties

  • Exact Mass: 210.99148403g/mol
  • Monoisotopic Mass: 210.99148403g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 209
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67.4
  • XLogP3: 2.1

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