AG0034TZ

111493-74-4 | Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate

AG0034TZ

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CAS Number	111493-74-4
Catalog Number	AG0034TZ(AGN-PC-0KL20M)
Chemical Name	Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
EC Number	601-100-2
IUPAC Name	ethyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
InChI	InChI=1S/C8H9F3N2O2/c1-3-15-7(14)5-4-13(2)12-6(5)8(9,10)11/h4H,3H2,1-2H3
InChI Key	ZZEXDJGNURSJOF-UHFFFAOYSA-N
MDL Number	MFCD00009136
Molecular Formula	C8H9F3N2O2
Molecular Weight	222.1645
SMILES	CN1N=C(C(=C1)C(=O)OCC)C(F)(F)F
Synonyms	111493-74-4, ethyl 1-methyl-3-(trifluoromethyl)-1h-pyrazole-4-carboxylate, ethyl 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate, 1-methyl-3-trifluoromethyl-1h-pyrazole-4-carboxylic acid ethyl ester, Ethyl1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, Ethyl 3-(trifluoromethyl)-1-methyl-1H-pyrazole-4-carboxylate, 1H-Pyrazole-4-carboxylic acid, 1-methyl-3-(trifluoromethyl)-, ethyl ester, 1H-Pyrazole-4-carboxylicacid, 1-methyl-3-(trifluoromethyl)-, ethyl ester, ZZEXDJGNURSJOF-UHFFFAOYSA-N, PubChem16961, ACMC-209xll, AC1MD3GJ, KSC507G7N, SCHEMBL965934, AMOT0257, CTK4A7376, KS-00000FKB, DTXSID70382380, ZINC167418, ACT08400, ANW-47815, MFCD02083398, SBB096277, TD8033, AKOS005069407, MCULE-3908169045, QC-1344, RP12850, RTR-002274, TRA0019998, VP20141, 11M-320S, AC-27328, AJ-16661, AM802932, BR-49255, CJ-02399, SC-62867, ZB008826, ethylmethyltrifluoromethylpyrazolecarboxylate, AB0002069, DB-040980, TR-002274, 4CH-007010, A2210, C3257, FT-0642728, ST24030429, X8976, C-0017, C-1382, I10-0724, J-002591, J-520549, ethyl 1-methyl-3-trifluoromethyl-4-pyrazolecarboxylate, ETHYL 1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE-4-C, 4-(Ethoxycarbonyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazole, Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4carboxylate, Ethyl-5-(trifluoromethyl)-1-methyl-1h-pyrazole-4-carboxylate, 1-Methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid ethyl ester, 3-trifluoromethyl-1-methyl-1H-pyrazole-4-carboxylic acid ethyl ester, C8H9F3N2O2, ZINC00167418, ACN-051507, CID2782970, Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 95% - 1G 1g, Ethyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 97% - 1G 1g,

Complexity	245
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	222.062g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	222.167g/mol
Monoisotopic Mass	222.062g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	44.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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