AG000PAV

1196146-35-6 | 3-Pyridinecarboxylic acid, 4-chloro-6-(trifluoromethyl)-, ethyl ester

AG000PAV

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CAS Number	1196146-35-6
Catalog Number	AG000PAV(AGN-PC-0BS7G1)
Chemical Name	3-Pyridinecarboxylic acid, 4-chloro-6-(trifluoromethyl)-, ethyl ester
IUPAC Name	ethyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate
InChI	InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)5-4-14-7(3-6(5)10)9(11,12)13/h3-4H,2H2,1H3
InChI Key	VQWWQKAQHGSJOX-UHFFFAOYSA-N
MDL Number	MFCD13189819
Molecular Formula	C9H7ClF3NO2
Molecular Weight	253.6056
SMILES	O=C(OCC)C1=CN=C(C(F)(F)F)C=C1Cl
Synonyms	ethyl 4-chloro-6-(trifluoromethyl)nicotinate, 1196146-35-6, AK123490, ethyl 4-chloro-6-(trifluoromethyl)pyridine-3-carboxylate, CTK4B1401, DTXSID80721327, KS-00000R7P, 3367AA, MFCD13189819, ZINC71864384, AKOS016011734, AB69186, CS-W022689, DS-7017, OR53031, AJ-118951, AX8247668, ST2412998, 4CH-016430, 3-Pyridinecarboxylic acid, 4-chloro-6-(trifluoromethyl)-, ethyl ester, C9H7ClF3NO2, Ethyl4-chloro-6-(trifluoromethyl)nicotinate,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.012g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.605g/mol
Monoisotopic Mass	253.012g/mol
Rotatable Bond Count	3
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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