AG00G86V

796090-23-8 | 2-Chloro-6-(trifluoromethyl)isonicotinic acid

AG00G86V

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CAS Number	796090-23-8
Catalog Number	AG00G86V(AGN-PC-004LQN)
Chemical Name	2-Chloro-6-(trifluoromethyl)isonicotinic acid
IUPAC Name	2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H3ClF3NO2/c8-5-2-3(6(13)14)1-4(12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key	OMXMPMNUSMLQQS-UHFFFAOYSA-N
MDL Number	MFCD13188811
Molecular Formula	C7H3ClF3NO2
Molecular Weight	225.5524
SMILES	OC(=O)C1=CC(Cl)=NC(=C1)C(F)(F)F
Synonyms	2-Chloro-6-(trifluoromethyl)isonicotinic acid, 796090-23-8, 2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic Acid, 2-chloro-6-trifluoromethyl-isonicotinic acid, SCHEMBL3243480, DTXSID50459100, OMXMPMNUSMLQQS-UHFFFAOYSA-N, KS-000008HU, 2435AC, MFCD13188811, ZINC34409211, AKOS016008866, AB67172, ACN-045331, CM10669, MCULE-8300506591, NE59463, AC-29101, AJ-88361, AK110480, AS-47358, 2-Chloro-6-trifluoromethylisonicotinic acid, CS-0051936, 2-(Trifluoromethyl)-6-chloropyridine-4-carboxylic acid, Z1695906763, 4-Pyridinecarboxylic acid, 2-chloro-6-(trifluoromethyl)-, 2-CHLORO-6-(TRIFLUOROMETHYL)-4-PYRIDINECARBOXYLIC ACID, C7H3ClF3NO2, CID11218389,

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	2.3

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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