AG009JPE

1360952-35-7 | Methyl 6-chloro-5-(trifluoromethyl)nicotinate

AG009JPE

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CAS Number	1360952-35-7
Catalog Number	AG009JPE(AGN-PC-0WCTGW)
Chemical Name	Methyl 6-chloro-5-(trifluoromethyl)nicotinate
IUPAC Name	methyl 6-chloro-5-(trifluoromethyl)pyridine-3-carboxylate
InChI	InChI=1S/C8H5ClF3NO2/c1-15-7(14)4-2-5(8(10,11)12)6(9)13-3-4/h2-3H,1H3
InChI Key	XSNQVMGVGAAMPU-UHFFFAOYSA-N
MDL Number	MFCD22559931
Molecular Formula	C8H5ClF3NO2
Molecular Weight	239.5790
SMILES	O=C(OC)C1=CN=C(Cl)C(C(F)(F)F)=C1
Synonyms	METHYL 6-CHLORO-5-(TRIFLUOROMETHYL)NICOTINATE, 1360952-35-7, methyl 6-chloro-5-(trifluoromethyl)pyridine-3-carboxylate, SCHEMBL18940406, DTXSID70857225, MFCD22559931, ZINC91692238, AC-29076, AS-38690, AB0078082, AX8266989, X-2351, 6-Chloro-5-(trifluoromethyl)-3-pyridinecarboxylic acid methyl ester, 3-Pyridinecarboxylic acid, 6-chloro-5-(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-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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