Cas no 79247-85-1 (2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester)

2-Thiazolecarboxylic  acid,4-(trifluoromethyl)-,methyl  ester structure
79247-85-1 structure
Product Name:2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester
CAS No:79247-85-1
MF:C6H4F3NO2S
MW:211.161670684814
MDL:MFCD11113316
CID:984611
PubChem ID:53408631
Update Time:2024-10-27

2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester Chemical and Physical Properties

Names and Identifiers

    • 2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester
    • Methyl 4-(trifluoromethyl)-1,3-thiazole-2-carboxylate
    • methyl 4-(trifluoromethyl)thiazole-2-carboxylate
    • 2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester
    • Methyl 4-trifluoromethyl-thiazole-2-carboxylate
    • Methyl 4-(trifluoromethyl)-2-thiazolecarboxylate (ACI)
    • 4-Trifluoromethylthiazole-2-carboxylic acid methyl ester
    • DTXSID60696362
    • MFCD11113316
    • SB38794
    • AS-47538
    • DA-02738
    • F14189
    • BQJHXOYYMRJRKL-UHFFFAOYSA-N
    • 79247-85-1
    • AKOS015852221
    • methyl4-(trifluoromethyl)thiazole-2-carboxylate
    • MDL: MFCD11113316
    • Inchi: 1S/C6H4F3NO2S/c1-12-5(11)4-10-3(2-13-4)6(7,8)9/h2H,1H3
    • InChI Key: BQJHXOYYMRJRKL-UHFFFAOYSA-N
    • SMILES: O=C(C1SC=C(C(F)(F)F)N=1)OC

Computed Properties

  • Exact Mass: 210.991
  • Monoisotopic Mass: 210.991
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • 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: 67.4A^2
  • XLogP3: 2.1

2-Thiazolecarboxylic acid,4-(trifluoromethyl)-,methyl ester Pricemore >>

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