AG00FDV6

741717-63-5 | 1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester

AG00FDV6

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CAS Number	741717-63-5
Catalog Number	AG00FDV6(AGN-PC-009BU9)
Chemical Name	1-Phenyl-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester
IUPAC Name	ethyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate
InChI	InChI=1S/C13H11F3N2O2/c1-2-20-12(19)10-8-18(9-6-4-3-5-7-9)17-11(10)13(14,15)16/h3-8H,2H2,1H3
InChI Key	RNOJREZLCGQMPX-UHFFFAOYSA-N
MDL Number	MFCD00068138
Molecular Formula	C13H11F3N2O2
Molecular Weight	284.2338
SMILES	FC(F)(F)C2(=NN(C1(=CC=CC=C1))C=C2C(=O)OCC)
Synonyms	Ethyl 1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 741717-63-5, 1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboxylic acid ethyl ester, SCHEMBL408172, CTK6F7025, RNOJREZLCGQMPX-UHFFFAOYSA-N, ANW-73945, ZINC34564247, AKOS015840675, AS-5121, DS-0494, PC446021, AB0001521, ST2412873, TR-072063, 4CH-013614, CID11448972, AJ-89357, CJ-18466, Ethyl 1-phenyl-3-(trifluoromethyl)pyrazole-4-carboxylate, Ethyl 3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carboxylate, Ethyl1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate,

Complexity	343
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	284.077262g/mol
Formal Charge	0
Heavy Atom Count	20
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	284.23g/mol
Monoisotopic Mass	284.077262g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	44.1Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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