AG0094RR

1073129-57-3 | 2-Chloro-6-trifluoroMethyl-nicotinic acid Methyl ester

AG0094RR

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CAS Number	1073129-57-3
Catalog Number	AG0094RR(AGN-PC-07QVBF)
Chemical Name	2-Chloro-6-trifluoroMethyl-nicotinic acid Methyl ester
IUPAC Name	methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-3-5(8(10,11)12)13-6(4)9/h2-3H,1H3
InChI Key	OFOKILFDGSZHKO-UHFFFAOYSA-N
MDL Number	MFCD00016047
Molecular Formula	C8H5ClF3NO2
Molecular Weight	239.5790
SMILES	O=C(OC)C1=C(Cl)N=C(C(F)(F)F)C=C1
Synonyms	Methyl 2-Chloro-6-(trifluoromethyl)nicotinate, 1073129-57-3, methyl 2-chloro-6-(trifluoromethyl)pyridine-3-carboxylate, 2-Chloro-6-trifluoromethyl-nicotinic acid methyl ester, SCHEMBL2435522, DTXSID90673207, OFOKILFDGSZHKO-UHFFFAOYSA-N, 1538AA, MFCD14698016, ZINC47202295, AKOS016008914, AC-28890, AS-41903, AJ-110619, C8H5ClF3NO2, Methyl2-chloro-6-(trifluoromethyl)nicotinate,

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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