AG0005S4

1018678-39-1 | 3-Pyridinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-

AG0005S4

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CAS Number	1018678-39-1
Catalog Number	AG0005S4(AGN-PC-0WD2UN)
Chemical Name	3-Pyridinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-
IUPAC Name	4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C7H3ClF3NO2/c8-3-1-2-12-5(7(9,10)11)4(3)6(13)14/h1-2H,(H,13,14)
InChI Key	LORVMHLMFSWALD-UHFFFAOYSA-N
MDL Number	MFCD22546902
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	O=C(O)C1=C(C(F)(F)F)N=CC=C1Cl
Synonyms	4-Chloro-2-(trifluoromethyl)nicotinic acid, 1018678-39-1, 4-chloro-2-(trifluoromethyl)pyridine-3-carboxylic acid, SCHEMBL1178825, DTXSID70732366, LORVMHLMFSWALD-UHFFFAOYSA-N, MFCD22546902, ZINC84235410, AB82774, FCH2292803, PC49634, 4-Chloro-2-trifluoromethylnicotinic acid, AK137148, AS-50173, DA-48348, AJ-126190, AX8258716, CS-0030196, FT-0736555, 3-Pyridinecarboxylic acid, 4-chloro-2-(trifluoromethyl)-,

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-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number