AG001GRA

1416354-40-9 | 2-Pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-, methyl ester

AG001GRA

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CAS Number	1416354-40-9
Catalog Number	AG001GRA(AGN-PC-0WAMWY)
Chemical Name	2-Pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 6-chloro-3-(trifluoromethyl)pyridine-2-carboxylate
InChI	InChI=1S/C8H5ClF3NO2/c1-15-7(14)6-4(8(10,11)12)2-3-5(9)13-6/h2-3H,1H3
InChI Key	UWHUOSHQHVKPQY-UHFFFAOYSA-N
MDL Number	MFCD23135252
Molecular Formula	C8H5ClF3NO2
Molecular Weight	239.5790
SMILES	O=C(OC)C1=NC(Cl)=CC=C1C(F)(F)F
Synonyms	Methyl 6-chloro-3-(trifluoromethyl)picolinate, 1416354-40-9, AK104489, SCHEMBL16648685, CTK8B7111, KS-00000QNB, ANW-56422, MFCD23135252, ZINC82049880, AKOS016004860, DS-4231, MP-0063, AJ-125040, AX8238662, TC-145167, ST24025451, 2-Pyridinecarboxylic acid, 6-chloro-3-(trifluoromethyl)-, methyl ester, 6-chloro-3-(trifluoromethyl)picolinate,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.996g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.578g/mol
Monoisotopic Mass	238.996g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	39.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H227-H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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