AG009VY0

1360934-51-5 | Methyl 2-​chloro-​5-​(trifluoromethyl)​nicotinate

AG009VY0

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CAS Number	1360934-51-5
Catalog Number	AG009VY0(AGN-PC-0WCJK7)
Chemical Name	Methyl 2-​chloro-​5-​(trifluoromethyl)​nicotinate
IUPAC Name	methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H5ClF3NO2/c1-15-7(14)5-2-4(8(10,11)12)3-13-6(5)9/h2-3H,1H3
InChI Key	ABTMVRRTSDJRGO-UHFFFAOYSA-N
MDL Number	MFCD22559950
Molecular Formula	C8H5ClF3NO2
Molecular Weight	239.5790
SMILES	O=C(OC)C1=C(Cl)N=CC(C(F)(F)F)=C1
Synonyms	methyl 2-chloro-5-(trifluoromethyl)nicotinate, 1360934-51-5, SCHEMBL9900680, ABTMVRRTSDJRGO-UHFFFAOYSA-N, MFCD22559950, ZINC97756949, AS-50308, QC-10963, 2-Chloro-5-trifluoromethyl-nicotinic acid methyl ester, methyl 2-chloro-5-(trifluoromethyl)pyridine-3-carboxylate,

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	\N
Hazard statements	H302-H315-H320-H335
Packing Group	\N
Precautionary statements	P264-P270-P301+P312-P330
UN Code	\N

Certificate of Analysis

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