5-Thiazolecarboxylic acid, 2-methyl-4-(4-nitrophenyl)-, ethyl ester

Base Information

• Chemical Name: 5-Thiazolecarboxylic acid, 2-methyl-4-(4-nitrophenyl)-, ethyl ester
• CAS No.: 112978-89-9
• Molecular Formula: C13H12N2O4S
• Molecular Weight: 292.31000
• DSSTox Substance ID: DTXSID00553728
• Wikidata: Q82434392
• Mol file: 112978-89-9.mol

Synonyms:112978-89-9;5-Thiazolecarboxylic acid, 2-methyl-4-(4-nitrophenyl)-, ethyl ester;Ethyl 2-methyl-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate;DTXSID00553728

Chemical Property of 5-Thiazolecarboxylic acid, 2-methyl-4-(4-nitrophenyl)-, ethyl ester

Chemical Property:

• PSA: 113.25000
• LogP: 3.72660
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 292.05177804
• Heavy Atom Count: 20
• Complexity: 366

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(N=C(S1)C)C2=CC=C(C=C2)[N+](=O)[O-]