AG003J29

1049706-72-0 | 3-bromo-4-methyl-5-nitropyridin-2-ol

AG003J29

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CAS Number	1049706-72-0
Catalog Number	AG003J29(AGN-PC-05VCBT)
Chemical Name	3-bromo-4-methyl-5-nitropyridin-2-ol
IUPAC Name	3-bromo-4-methyl-5-nitro-1H-pyridin-2-one
InChI	InChI=1S/C6H5BrN2O3/c1-3-4(9(11)12)2-8-6(10)5(3)7/h2H,1H3,(H,8,10)
InChI Key	JJTIUCLTXGGQCH-UHFFFAOYSA-N
MDL Number	MFCD12828179
Molecular Formula	C6H5BrN2O3
Molecular Weight	233.0195
SMILES	O=C1C(Br)=C(C)C([N+]([O-])=O)=CN1
Synonyms	1049706-72-0, 3-Bromo-4-methyl-5-nitro-2-pyridinone, 3-Bromo-4-methyl-5-nitropyridin-2(1H)-one, 3-bromo-4-methyl-5-nitropyridin-2-ol, 3-bromo-4-methyl-5-nitro-1H-pyridin-2-one, 3-Bromo-4-methyl-5-nitro-pyridin-2-ol, 3-bromo-4-methyl-5-nitro-1,2-dihydropyridin-2-one, zlchem 846, SCHEMBL1200250, CTK8C6575, DTXSID20653951, ZLD0307, JJTIUCLTXGGQCH-UHFFFAOYSA-N, ACT06194, 5828AJ, MFCD12828179, ZINC32914813, AKOS015842229, NE44680, AC-25585, AJ-85643, CJ-18001, CS-11425, SY020303, TC-063237, CS-0046914, FT-0652894, 3-bromanyl-4-methyl-5-nitro-1H-pyridin-2-one, K-0446, MFCD12828179 (95+%), A801119, S02-0064, C6H5BrN2O3, 2(1H)-Pyridinone, 3-bromo-4-methyl-5-nitro-,

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	0.6

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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