AG003RWU

6833-82-5 | Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate

AG003RWU

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CAS Number	6833-82-5
Catalog Number	AG003RWU(AGN-PC-0WADZ7)
Chemical Name	Methyl 5-(trifluoromethyl)pyrazole-3-carboxylate
IUPAC Name	methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate
InChI	InChI=1S/C6H5F3N2O2/c1-13-5(12)3-2-4(11-10-3)6(7,8)9/h2H,1H3,(H,10,11)
InChI Key	UCKDGWZKTSPBOO-UHFFFAOYSA-N
MDL Number	MFCD09754160
Molecular Formula	C6H5F3N2O2
Molecular Weight	194.1113
SMILES	O=C(C1=NNC(C(F)(F)F)=C1)OC
Synonyms	Methyl 5-(Trifluoromethyl)pyrazole-3-carboxylate, 6833-82-5, methyl 3-(trifluoromethyl)-1H-pyrazole-5-carboxylate, Methyl 5-(trifluoromethyl)-1H-pyrazole-3-carboxylate, methyl 3-(trifluoromethyl)pyrazole-5-carboxylate, AC1MOMF6, SCHEMBL1498628, SCHEMBL19780067, KS-00000BOS, UCKDGWZKTSPBOO-UHFFFAOYSA-N, 7105AJ, FCH831028, MFCD09754160, SBB073520, STK301935, ZINC13958016, AKOS003725943, AKOS006230046, MCULE-1414416603, TRA0071712, AK187618, CS-11408, DA-19025, SC-31317, SY019712, TC-308572, CS-0080451, FT-0714046, ST45062201, Methyl5-(Trifluoromethyl)pyrazole-3-carboxylate, Z-4553, MFCD09754160 (97+%), 3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid methyl ester, C6H5F3N2O2, CID3322643, 494-19-9,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	194.03g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	194.113g/mol
Monoisotopic Mass	194.03g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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