AG0036B6

874493-25-1 | 3-bromo-6-methyl-5-nitro-2(1H)-Pyridinone

AG0036B6

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CAS Number	874493-25-1
Catalog Number	AG0036B6(AGN-PC-0WAIGG)
Chemical Name	3-bromo-6-methyl-5-nitro-2(1H)-Pyridinone
IUPAC Name	3-bromo-6-methyl-5-nitro-1H-pyridin-2-one
InChI	InChI=1S/C6H5BrN2O3/c1-3-5(9(11)12)2-4(7)6(10)8-3/h2H,1H3,(H,8,10)
InChI Key	TZYNRASKYAQOML-UHFFFAOYSA-N
MDL Number	MFCD09839283
Molecular Formula	C6H5BrN2O3
Molecular Weight	233.0195
SMILES	BrC=1C(NC(=C(C1)[N+](=O)[O-])C)=O
Synonyms	3-Bromo-6-methyl-5-nitropyridin-2-ol, 874493-25-1, 3-Bromo-2-hydroxy-5-nitro-6-picoline, 3-bromo-6-methyl-5-nitro-2(1H)-Pyridinone, 3-bromo-6-methyl-5-nitro-1H-pyridin-2-one, 5-BROMO-6-HYDROXY-3-NITRO-2-PICOLINE, PubChem6527, SCHEMBL1200517, CTK8C1544, DTXSID80652061, TZYNRASKYAQOML-UHFFFAOYSA-N, KS-00001B4B, 3852AC, ANW-66867, MFCD09839283, ZINC21981968, AKOS016007953, AKOS030231729, FCH3732389, GS-5031, KS-0000260U, 3-bromo-6-methyl-5-nitro-pyridin-2-ol, AJ-78985, BC003146, OR345370, AX8238199, DB-076959, TC-155612, CS-0037558, FT-0747457, 3-Bromo-6-methyl-5-nitropyridin-2(1H)-one, A1-04927, C6H5BrN2O3, 5657-63-6,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.948g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.021g/mol
Monoisotopic Mass	231.948g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	74.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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