AG00DHVY

438554-44-0 | 5-Nitro-2-(trifluoromethyl)pyridin-4-ol

AG00DHVY

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CAS Number	438554-44-0
Catalog Number	AG00DHVY(AGN-PC-0WD1CA)
Chemical Name	5-Nitro-2-(trifluoromethyl)pyridin-4-ol
IUPAC Name	5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one
InChI	InChI=1S/C6H3F3N2O3/c7-6(8,9)5-1-4(12)3(2-10-5)11(13)14/h1-2H,(H,10,12)
InChI Key	VVKVNBMMOVZQRX-UHFFFAOYSA-N
MDL Number	MFCD11848351
Molecular Formula	C6H3F3N2O3
Molecular Weight	208.0948
SMILES	OC1=CC(C(F)(F)F)=NC=C1[N+]([O-])=O
Synonyms	5-Nitro-2-(trifluoromethyl)pyridin-4-ol, 438554-44-0, SCHEMBL3060388, DTXSID30625280, VVKVNBMMOVZQRX-UHFFFAOYSA-N, KS-00000RE3, 6050AB, MFCD28501483, ZINC95093381, AKOS016000822, AB64802, DS-5936, 5-nitro-2-trifluoromethyl-pyridin-4-ol, AK128769, AJ-132471, 4-Pyridinol, 5-nitro-2-(trifluoromethyl)-, CS-0054161, 4-Hydroxy-5-nitro-2-(trifluoromethyl)pyridine, 5-nitro-2-(trifluoromethyl)-1H-pyridin-4-one, 5-Nitro-2-(trifluoromethyl)pyridin-4(1H)-one, 2-(TRIFLUOROMETHYL)-5-NITROPYRIDIN-4-OL, 5-Nitro-2-(trifluoromethyl)-1,4-dihydropyridin-4-one, C6H3F3N2O3,

Complexity	350
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.01g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.096g/mol
Monoisotopic Mass	208.01g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.1

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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