AG000MLL

1246685-28-8 | 4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethyl)-, methyl ester

AG000MLL

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CAS Number	1246685-28-8
Catalog Number	AG000MLL(AGN-PC-0WCTGX)
Chemical Name	4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate
InChI	InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-6(9)13-3-5(4)8(10,11)12/h2-3H,1H3
InChI Key	NJEVEXBNCLQMAJ-UHFFFAOYSA-N
MDL Number	MFCD18258738
Molecular Formula	C8H5ClF3NO2
Molecular Weight	239.5790
SMILES	O=C(C1=CC(Cl)=NC=C1C(F)(F)F)OC
Synonyms	1246685-28-8, Methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate, methyl 2-chloro-5-(trifluoromethyl)isonicotinate, SCHEMBL473889, KS-00003QUT, DTXSID60744332, NJEVEXBNCLQMAJ-UHFFFAOYSA-N, ZX-AP000935, MFCD18258738, ZINC72265939, AKOS025404009, PC50076, PS-6674, AB0071010, FT-0702817, C-0314, 2-Chloro-4-(methoxycarbonyl)-5-(trifluoromethyl)pyridine, 2-Chloro-5-(trifluoromethyl)isonicotinic acid methyl ester, 2-Chloro-5-trifluoromethyl-isonicotinic acid methyl ester, 4-Pyridinecarboxylic acid, 2-chloro-5-(trifluoromethyl)-, methyl ester, Methyl 2-chloro-5-(trifluoromethyl)pyridine-4-carboxylate, 95% - 1G 1g,

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	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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