AG008S3G

117519-07-0 | 3-Nitro-6-(trifluoromethyl)pyridin-2(1H)-one

AG008S3G

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CAS Number	117519-07-0
Catalog Number	AG008S3G(AGN-PC-0N9XYA)
Chemical Name	3-Nitro-6-(trifluoromethyl)pyridin-2(1H)-one
IUPAC Name	3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
InChI	InChI=1S/C6H3F3N2O3/c7-6(8,9)4-2-1-3(11(13)14)5(12)10-4/h1-2H,(H,10,12)
InChI Key	CHBZJFQSBBRGKS-UHFFFAOYSA-N
MDL Number	MFCD19981826
Molecular Formula	C6H3F3N2O3
Molecular Weight	208.0948
SMILES	O=C1C([N+]([O-])=O)=CC=C(C(F)(F)F)N1
Synonyms	117519-07-0, 3-Nitro-6-(trifluoromethyl)pyridin-2(1H)-one, 3-NITRO-6-(TRIFLUOROMETHYL)PYRIDIN-2-OL, 2-Hydroxy-3-nitro-6-(trifluoromethyl)pyridine, 2(1H)-Pyridinone, 3-nitro-6-(trifluoromethyl)-, SCHEMBL5746546, SCHEMBL8743905, CHBZJFQSBBRGKS-UHFFFAOYSA-N, MFCD10696218, ZINC34431135, AKOS022181984, 3-Nitro-6-trifluoromethylpyridin-2-ol, AB56781, AM86356, FCH1362390, 3-Nitro-6-trifluoromethyl-2-pyridinone, 3-Nitro-6-trifluoromethyl-pyridin-2-ol, AJ-88502, AK-65197, AS-35527, 3-Nitro-6-trifluoromethyl-2(1H)-pyridone, CS-0047666, Z7835, 3-nitro-6-(trifluoromethyl)-2(1H)-pyridinone, C6H3F3N2O3, CID10750851, 3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one,

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	6
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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