AG00EJFD

588702-69-6 | methyl 3-trifluoro-2-pyridinecarboxylate

AG00EJFD

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CAS Number	588702-69-6
Catalog Number	AG00EJFD(AGN-PC-07QVDE)
Chemical Name	methyl 3-trifluoro-2-pyridinecarboxylate
IUPAC Name	methyl 3-(trifluoromethyl)pyridine-2-carboxylate
InChI	InChI=1S/C8H6F3NO2/c1-14-7(13)6-5(8(9,10)11)3-2-4-12-6/h2-4H,1H3
InChI Key	YRTIWUCFNRNKMA-UHFFFAOYSA-N
MDL Number	MFCD14698094
Molecular Formula	C8H6F3NO2
Molecular Weight	205.1339
SMILES	COC(=O)C1=C(C=CC=N1)C(F)(F)F
Synonyms	Methyl 3-(trifluoromethyl)picolinate, 588702-69-6, methyl 3-(trifluoromethyl)-2-pyridinecarboxylate, Methyl 3-(trifluoromethyl)pyridine-2-carboxylate, 2-Pyridinecarboxylic acid, 3-(trifluoromethyl)-, methyl ester, SCHEMBL2346222, CTK8B7134, DTXSID90673227, KS-000025BA, ANW-56471, MFCD14698094, ZINC47202478, AKOS016002392, DS-2213, FS-3607, MP-1167, SB13523, methyl 3-trifluoro-2-pyridinecarboxylate, AK-64636, CJ-20558, AB0058767, AJ-110646, TC-145216, 4CH-010540, CS-0042767, ST24025270, Z4914, C8H6F3NO2, Methyl3-(trifluoromethyl)picolinate, methyl 3-(trifluoromethyl)pyridine-2-carboxylate, 95% - 1G 1g,

Complexity	217
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.035g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	205.136g/mol
Monoisotopic Mass	205.035g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3(6.1)
Hazard statements	H302-H315-H320-H335
Packing Group	Ⅲ
Precautionary statements	P264-P270-P301+P312-P330
UN Code	UN 1992

Certificate of Analysis

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