AG00G715

749875-02-3 | 3-Chloro-2-(trifluoromethyl)isonicotinic acid

AG00G715

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CAS Number	749875-02-3
Catalog Number	AG00G715(AGN-PC-0HG6PZ)
Chemical Name	3-Chloro-2-(trifluoromethyl)isonicotinic acid
IUPAC Name	3-chloro-2-(trifluoromethyl)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H3ClF3NO2/c8-4-3(6(13)14)1-2-12-5(4)7(9,10)11/h1-2H,(H,13,14)
InChI Key	UVJBNXZJTBKRQB-UHFFFAOYSA-N
MDL Number	MFCD16610712
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	O=C(O)C1=CC=NC(C(F)(F)F)=C1Cl
Synonyms	3-Chloro-2-(trifluoromethyl)isonicotinic acid, 749875-02-3, AK121837, 3-CHLORO-2-(TRIFLUOROMETHYL)-4-PYRIDINECARBOXYLIC ACID, 3-CHLORO-2-(TRIFLUOROMETHYL)PYRIDINE-4-CARBOXYLIC ACID, SCHEMBL2582882, 4-Pyridinecarboxylic acid, 3-chloro-2-(trifluoromethyl)-, DTXSID40737308, UVJBNXZJTBKRQB-UHFFFAOYSA-N, 1658AC, MFCD16610712, ZINC91297641, AB71267, CS-W020140, DS-6394, FCH1344772, AJ-129536, AX8232025, 2-(Trifluoromethyl)-3-chloropyridine-4-carboxylic acid, C7H3ClF3NO2, ACN-027984, 3-Chloro-2-(trifluoromethyl)isonicotinicacid,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.98g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.551g/mol
Monoisotopic Mass	224.98g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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