AG00IMMM

153888-47-2 | methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate

AG00IMMM

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CAS Number	153888-47-2
Catalog Number	AG00IMMM(AGN-PC-0CVQGA)
Chemical Name	methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate
IUPAC Name	methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate
InChI	InChI=1S/C8H8BrNO3/c1-10-4-5(8(12)13-2)3-6(9)7(10)11/h3-4H,1-2H3
InChI Key	SKLUXWOAEKUQRA-UHFFFAOYSA-N
MDL Number	MFCD26143068
Molecular Formula	C8H8BrNO3
Molecular Weight	246.0580
SMILES	O=C(C(C=C1Br)=CN(C)C1=O)OC
Synonyms	Methyl 5-bromo-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate, 153888-47-2, methyl 5-bromo-1-methyl-6-oxopyridine-3-carboxylate, SCHEMBL924584, KS-00000QXV, DTXSID50731610, SKLUXWOAEKUQRA-UHFFFAOYSA-N, 7723AA, MFCD26143068, ZINC91301589, AKOS016013011, DS-5059, FCH2426363, AK126038, AJ-129737, AX8242657, CS-0061743, F1907-2344, C8H8BrNO3, Methyl5-bromo-1-methyl-6-oxo-1,6-dihydropyridine-3-carboxylate,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	244.969g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	246.06g/mol
Monoisotopic Mass	244.969g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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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