AG00AC42

194673-12-6 | Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate

AG00AC42

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CAS Number	194673-12-6
Catalog Number	AG00AC42(AGN-PC-0KKW4F)
Chemical Name	Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate
IUPAC Name	ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate
InChI	InChI=1S/C9H10F3NO3/c1-2-16-8(15)5-3-4-6(14)13-7(5)9(10,11)12/h2-4H2,1H3,(H,13,14)
InChI Key	QTHTZBDPNNJDRG-UHFFFAOYSA-N
MDL Number	MFCD00975005
Molecular Formula	C9H10F3NO3
Molecular Weight	237.1758
SMILES	O=C(C(CC1)=C(C(F)(F)F)NC1=O)OCC
Synonyms	194673-12-6, ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate, AK163204, ethyl 2-(trifluoromethyl)-1,4,5,6-tetrahydro-6-pyridone-3-carboxylate, ethyl 6-oxo-1,4,5,6-tetrahydro-2-(trifluoromethyl)pyridine-3-carboxylate, ethyl 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate, AC1MCODC, PubChem13886, C9H10F3NO3, SCHEMBL3412296, CTK6F4902, DTXSID70379013, ABLOCK AB-11-5734, QTHTZBDPNNJDRG-UHFFFAOYSA-N, ZINC167960, KS-00000J5X, ZX-AP011270, 6563AD, MFCD00975005, SBB098754, AKOS005069786, AF10220, MCULE-7878374395, RP13613, RTR-062916, VP11523, TR-062916, ST24047144, J3.578.157I, 1M-938, C-6318, A813741, ethyloxotrifluoromethyltetrahydropyridinecarboxylate, I14-9993, J-521208, I14-32689, ethyl 6-hydroxy-2-(trifluoromethyl)-4,5-dihydropyridine-3-carboxylate, Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro 3-pyridinecarboxylate, ethyl 6-oxo-2-(trifluoromethyl)-1,4,5-trihydropyridine-3-carboxylate, ethyl 6-oxo-2-(trifluoromethyl)-4,5-dihydro-1H-pyridine-3-carboxylate, 1,4,5,6-Tetrahydro-6-oxo-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester, 2-oxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylic acid ethyl ester, 6-Hydroxy-2-trifluoromethyl-4,5-dihydro-pyridine-3-carboxylic acid ethyl ester, 6-Oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydropyridine-3-carboxylic acid ethyl ester, ethyl 2-oxidanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyridine-5-carboxylate, ZINC00167960, CID2774392, Ethyl 6-oxo-2-(trifluoromethyl)-1,4,5,6-tetrahydro-3-pyridinecarboxylate, 95% 1g,

Complexity	346
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.061g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	237.178g/mol
Monoisotopic Mass	237.061g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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