AG0020C0

175137-35-6 | 1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-, ethyl ester

AG0020C0

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CAS Number	175137-35-6
Catalog Number	AG0020C0(AGN-PC-0KK8DE)
Chemical Name	1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-, ethyl ester
IUPAC Name	ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate
InChI	InChI=1S/C13H10F3N3O4/c1-2-23-12(20)10-7-17-18(11(10)13(14,15)16)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3
InChI Key	QNUASRIZVSLLGS-UHFFFAOYSA-N
MDL Number	MFCD00173868
Molecular Formula	C13H10F3N3O4
Molecular Weight	329.2314
SMILES	CCOC(=O)C1=C(N(N=C1)C1=CC=C(C=C1)[N+]([O-])=O)C(F)(F)F
Synonyms	175137-35-6, Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate, MFCD00173868, ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylate, Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)-pyrazole-4-carboxylate, 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester, QNUASRIZVSLLGS-UHFFFAOYSA-N, ACMC-20ai1n, AC1MC6YE, Maybridge1_003926, SCHEMBL6070165, CTK4D5338, HMS552K10, ZINC82524, DTXSID50371919, C13H10F3N3O4, ZX-AP012114, 9093AA, ANW-74313, PC3278, AKOS015833409, MCULE-5664149631, RTR-007829, VP20143, AJ-10606, CC-27696, ZB002936, AX8001044, DB-044053, TR-007829, FT-0625870, C-5715, A811790, C-19963, J-011070, I14-25679, Ethyl 2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4carboxylate, ethyl2-(4-nitrophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate, 1-(4-nitrophenyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester, Ethyl 5-(trifluoromethyl)-1-(4-nitrophenyl)-1H-pyrazole-4-carboxylate, 1-(4-nitrophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester, 1H-Pyrazole-4-carboxylic acid, 1-(4-nitrophenyl)-5-(trifluoromethyl)-, ethyl ester, Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 97%, ZINC00082524, CID2737215, Ethyl 1-(4-nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 97% - 1G 1g,

Complexity	447
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.062g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	329.235g/mol
Monoisotopic Mass	329.062g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	89.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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