AG00308N

304693-64-9 | 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester

AG00308N

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CAS Number	304693-64-9
Catalog Number	AG00308N(AGN-PC-03HYPK)
Chemical Name	5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester
IUPAC Name	ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate
InChI	InChI=1S/C8H7F3N2O2/c1-2-15-6(14)5-3-12-7(13-4-5)8(9,10)11/h3-4H,2H2,1H3
InChI Key	LRUCUGOOQHJEQP-UHFFFAOYSA-N
MDL Number	MFCD09754048
Molecular Formula	C8H7F3N2O2
Molecular Weight	220.1486
SMILES	O=C(C1=CN=C(C(F)(F)F)N=C1)OCC
Synonyms	ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate, 304693-64-9, C8H7F3N2O2, ethyl 2-trifluoromethylpyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 2-(trifluoromethyl)-, ethyl ester, SCHEMBL346837, CTK4G5259, KS-00000HZG, DTXSID00620348, LRUCUGOOQHJEQP-UHFFFAOYSA-N, BCP27305, ANW-48129, CE-082, MFCD09754048, ZINC19615713, AKOS005146370, AB51523, RP05148, SS-5108, AJ-74000, AK-50915, BR-50915, SC-28416, AB0024090, DB-001023, TC-061857, 4CH-003280, AM20090423, CS-0042048, FT-0708257, ST24030479, W5288, S-5972, 5-(Ethoxycarbonyl)-2-(trifluoromethyl)pyrimidine, ethyl 2-trifluoromethyl-pyrimidine-5-carboxylate, Ethyl 2-(trifluoromethyl)-5-pyrimidinecarboxylate, I03-0455, J-520660, 2-(Trifluoromethyl)pyrimidine-5-carboxylic acid ethyl ester, 2-TRIFLUOROMETHYL-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER, ACN-027086, ETHYL2- PYRIMIDINE-5-CARBOXYLATE, A15463,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.046g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	220.151g/mol
Monoisotopic Mass	220.046g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^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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