AC1LS5DR structure

AC1LS5DR

ethyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Also Known As: KS-00002YBE|ethyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate|10R-0029|ethyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate|ethyl1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate

CAS: 955975-70-9
Molecular Formula C16H11F3N4O4S
Molecular Weight 412.04532 g/mol
LogP 4.0995
Topological Polar Surface Area 100.15 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 7
Rotatable Bonds 5
Exact Mass 412.04532
Monoisotopic Mass 412.04532
Heavy Atoms 28
Complexity 1044.6865

Chemical Identifiers

CAS Number 955975-70-9
SMILES CCOC(=O)C1=C(N(N=C1)C2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F

Product Overview

AC1LS5DR (CAS 955975-70-9), with molecular formula C16H11F3N4O4S and molecular weight 412.04532 g/mol. IUPAC: ethyl 1-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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