AG003QD0

597532-36-0 | Ethyl 6-(trifluoromethyl)nicotinate

AG003QD0

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CAS Number	597532-36-0
Catalog Number	AG003QD0(AGN-PC-0085F6)
Chemical Name	Ethyl 6-(trifluoromethyl)nicotinate
EC Number	611-874-3
IUPAC Name	ethyl 6-(trifluoromethyl)pyridine-3-carboxylate
InChI	InChI=1S/C9H8F3NO2/c1-2-15-8(14)6-3-4-7(13-5-6)9(10,11)12/h3-5H,2H2,1H3
InChI Key	NRFRJTLIEGYCOA-UHFFFAOYSA-N
MDL Number	MFCD04972865
Molecular Formula	C9H8F3NO2
Molecular Weight	219.1605
SMILES	O=C(OCC)C1=CN=C(C(F)(F)F)C=C1
Synonyms	Ethyl 6-(trifluoromethyl)nicotinate, 597532-36-0, 6-TRIFLUOROMETHYL-NICOTINIC ACID ETHYL ESTER, Ethyl 6-(trifluoromethyl)pyridine-3-carboxylate, 3-PYRIDINECARBOXYLIC ACID, 6-(TRIFLUOROMETHYL)-, ETHYL ESTER, 851070-23-0, PubChem13681, SCHEMBL838555, CTK5B0445, KS-00000BLH, NRFRJTLIEGYCOA-UHFFFAOYSA-N, Ethyl6-(Trifluoromethyl)nicotinate, ACT06692, ZINC2540313, ANW-47847, MFCD04972865, SBB065210, AKOS005063506, AB21241, CM11093, RP27177, RTR-050048, TRA0044550, AC-23670, AJ-39057, AK-28359, AN-27723, BR-28359, DS-10987, QC-10958, SC-27059, SY014887, AB0025742, TR-050048, AM20061365, FT-0646370, ST24030662, W7255, MFCD04972865 (97%), C-1598, 3S110297, I01-7297, J-513092, 3-Pyridinecarboxylicacid, 6-(trifluoromethyl)-, ethyl ester, 6-(TRIFLUOROMETHYL)-3-PYRIDINECARBOXYLIC ACID ETHYL ESTER, 2-Methyl-4-trifluoromethyl-6-(4-trifluoromethylphenyl)nicotinic acid ethyl ester, C9H8F3NO2, ACN-S002138, CID11390362, 6-TRIFLUOROMETHYL-NICOTINICACIDETHYLESTER,

Complexity	230
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.051g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	219.163g/mol
Monoisotopic Mass	219.051g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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