AG0016SX

1221171-98-7 | 4-Pyridinecarboxylic acid, 2-(trifluoromethoxy)-

AG0016SX

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CAS Number	1221171-98-7
Catalog Number	AG0016SX(AGN-PC-0890E9)
Chemical Name	4-Pyridinecarboxylic acid, 2-(trifluoromethoxy)-
IUPAC Name	2-(trifluoromethoxy)pyridine-4-carboxylic acid
InChI	InChI=1S/C7H4F3NO3/c8-7(9,10)14-5-3-4(6(12)13)1-2-11-5/h1-3H,(H,12,13)
InChI Key	PGAJZMZZYBMULE-UHFFFAOYSA-N
MDL Number	MFCD22571789
Molecular Formula	C7H4F3NO3
Molecular Weight	207.1068
SMILES	O=C(O)C1=CC=NC(OC(F)(F)F)=C1
Synonyms	2-(Trifluoromethoxy)isonicotinic acid, 1221171-98-7, AK167318, 2-(trifluoromethoxy)pyridine-4-carboxylic acid, SCHEMBL2304236, 2(trifluoromethoxy)isonicotinic acid, ZINC98213918, DS-9481, FCH1795158, CS-0080638, 4-Pyridinecarboxylic acid, 2-(trifluoromethoxy)-, 2(trifluoromethoxy)isonicotinicacid,

Complexity	219
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.014327g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	207.11g/mol
Monoisotopic Mass	207.014327g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	59.4Ų
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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