Cas no 689251-24-9 (4-Thiazolecarboxylic acid, 2-[(4-nitrophenyl)methyl]-, ethyl ester)

4-Thiazolecarboxylic acid, 2-[(4-nitrophenyl)methyl]-, ethyl ester structure
689251-24-9 structure
Product Name:4-Thiazolecarboxylic acid, 2-[(4-nitrophenyl)methyl]-, ethyl ester
CAS No:689251-24-9
MF:C13H12N2O4S
MW:292.310381889343
CID:1731836
Update Time:2024-11-18

4-Thiazolecarboxylic acid, 2-[(4-nitrophenyl)methyl]-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Thiazolecarboxylic acid, 2-[(4-nitrophenyl)methyl]-, ethyl ester
    • Inchi: 1S/C13H12N2O4S/c1-2-19-13(16)11-8-20-12(14-11)7-9-3-5-10(6-4-9)15(17)18/h3-6,8H,2,7H2,1H3
    • InChI Key: RTLYBALMEDEOSO-UHFFFAOYSA-N
    • SMILES: S1C=C(C(OCC)=O)N=C1CC1=CC=C([N+]([O-])=O)C=C1

Computed Properties

  • Exact Mass: 292.05186

Experimental Properties

  • Density: 1.342±0.06 g/cm3(Predicted)
  • Boiling Point: 463.3±30.0 °C(Predicted)
  • PSA: 82.33
  • pka: 0.35±0.10(Predicted)

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