AG00IIGN

947144-26-5 | 3-Nitro-6-(trifluoromethyl)pyridine-2，4-diol

AG00IIGN

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CAS Number	947144-26-5
Catalog Number	AG00IIGN(AGN-PC-0WAIGJ)
Chemical Name	3-Nitro-6-(trifluoromethyl)pyridine-2，4-diol
IUPAC Name	4-hydroxy-3-nitro-6-(trifluoromethyl)-1H-pyridin-2-one
InChI	InChI=1S/C6H3F3N2O4/c7-6(8,9)3-1-2(12)4(11(14)15)5(13)10-3/h1H,(H2,10,12,13)
InChI Key	RNRDDIRUBACPKU-UHFFFAOYSA-N
MDL Number	MFCD14706616
Molecular Formula	C6H3F3N2O4
Molecular Weight	224.0942
SMILES	OC1=C(C(O)=NC(=C1)C(F)(F)F)[N+]([O-])=O
Synonyms	3-Nitro-6-(trifluoromethyl)pyridine-2,4-diol, 947144-26-5, AK-37435, SCHEMBL2567845, KS-00000HSU, DTXSID90716325, RNRDDIRUBACPKU-UHFFFAOYSA-N, 6259AC, MFCD14706616, ZINC63772331, AKOS016000629, CS-W004171, DS-13268, QC-11566, AJ-114469, AX8160946, ST24028601, 3-Nitro-6-trifluoromethyl-pyridine-2,4-diol, 4-Hydroxy-3-nitro-6-(trifluoromethyl)pyridin-2(1H)-one, C6H3F3N2O4, ACN-034520,

Complexity	390
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	224.004g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	224.095g/mol
Monoisotopic Mass	224.004g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	95.2A^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-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number