AG003Q9Z

720-01-4 | Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate

AG003Q9Z

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CAS Number	720-01-4
Catalog Number	AG003Q9Z(AGN-PC-0KK8C2)
Chemical Name	Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate
IUPAC Name	ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate
InChI	InChI=1S/C8H6ClF3N2O2/c1-2-16-6(15)4-3-13-7(8(10,11)12)14-5(4)9/h3H,2H2,1H3
InChI Key	DSULCDCBENGHAX-UHFFFAOYSA-N
MDL Number	MFCD00173897
Molecular Formula	C8H6ClF3N2O2
Molecular Weight	254.5936
SMILES	O=C(C1=CN=C(C(F)(F)F)N=C1Cl)OCC
Synonyms	720-01-4, Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate, Ethyl 4-chloro-2-trifluoromethylpyrimidine-5-carboxylate, 4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester, AK-29466, Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5- carboxylate, MFCD00173897, 5-Pyrimidinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-, ethyl ester, AC1MC6VQ, SCHEMBL131646, CTK5D5363, DTXSID20371885, DSULCDCBENGHAX-UHFFFAOYSA-N, 4-Chloro-2-trifluoromethyl-pyrimidine-5-carboxylicacidethylester, BCP26764, ZINC4255745, ZX-AL000926, ZX-AP000498, ANW-54191, CE-541, PC6023, SBB053946, AKOS000320373, AS-5167, CS-W019492, RP06210, TRA0005655, AC-26619, AJ-49765, AN-47405, BR-29466, CC-27989, CJ-11712, EN001534, HC210316, SC-17150, SY027419, AX8010947, DB-012422, TC-061883, TL8005045, 4CH-003279, A9394, AM20100685, FT-0626075, ST24030603, W8081, S-3135, MFCD00173897 (97+%), 720C014, C-15789, T125663, J-520983, S03-0162, ethyl 2-trifluoromethyl-4-chloropyrimidine-5-carboxylate, ETHYL 4-CHLORO-2-(TRIFLUOROMETHYL)PYRIMIDINE-5-CAR, ethyl 4-chloro-2-trifluoromethyl-pyrimidine-5-carboxylate, ethyl-4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylicacid, 4-chloro-2-(trifluoromethyl)-, ethyl ester, Ethyl 4-chloro-2-(trifluoromethyl)-5-pyrimidinecarboxylate, AldrichCPR, Diphenylethoxyphosphine, C8H6ClF3N2O2, ZINC04255745, CID2737166, Ethyl 4-chloro-2-(trifluoromethyl)pyrimidine-5-carboxylate, 97% - 1G 1g,

Complexity	262
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	254.007g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	254.593g/mol
Monoisotopic Mass	254.007g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	52.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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