AG000JD8

1227594-40-2 | 4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, methyl ester

AG000JD8

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CAS Number	1227594-40-2
Catalog Number	AG000JD8(AGN-PC-0WCTG5)
Chemical Name	4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylate
InChI	InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-5(8(10,11)12)13-6(9)3-4/h2-3H,1H3
InChI Key	PPPKCVBFGSHQKD-UHFFFAOYSA-N
MDL Number	MFCD16611605
Molecular Formula	C8H5ClF3NO2
Molecular Weight	239.5790
SMILES	O=C(C1=CC(Cl)=NC(C(F)(F)F)=C1)OC
Synonyms	methyl 2-chloro-6-(trifluoromethyl)isonicotinate, 1227594-40-2, METHYL 2-CHLORO-6-(TRIFLUOROMETHYL)PYRIDINE-4-CARBOXYLATE, SCHEMBL20186698, MFCD16611605, AKOS027337706, ZINC238360452, AK339462, AS-47536, AX8265874, 4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, methyl ester,

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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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