AG000Q59

120034-05-1 | 3-Pyridinecarboxylic acid, 5-bromo-1,2-dihydro-2-oxo-, methyl ester

AG000Q59

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CAS Number	120034-05-1
Catalog Number	AG000Q59(AGN-PC-0KKPGD)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-1,2-dihydro-2-oxo-, methyl ester
IUPAC Name	methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
InChI	InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChI Key	TXZVFXMZHYRSDN-UHFFFAOYSA-N
MDL Number	MFCD08056370
Molecular Formula	C7H6BrNO3
Molecular Weight	232.0314
SMILES	COC(=O)C1=CC(Br)=CNC1=O
Synonyms	120034-05-1, Methyl 5-bromo-2-hydroxynicotinate, methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate, Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate, methyl 5-bromo-2-hydroxypyridine-3-carboxylate, methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate, 5-BROMO-2-HYDROXY-NICOTINIC ACID METHYL ESTER, 3-Pyridinecarboxylic acid, 5-bromo-1,2-dihydro-2-oxo-, methyl ester, ACMC-20ai8y, AC1MC85G, SCHEMBL200070, ACMC-209a65, CTK0I3172, DTXSID60376899, TXZVFXMZHYRSDN-UHFFFAOYSA-N, ANW-17451, ANW-74576, CL0329, MFCD03844843, MFCD08056370, SBB053799, ZINC12471478, AKOS005069291, AKOS015891719, AC-5064, CS-W005158, MCULE-3818835957, PB22109, PS-5737, RP13333, RTR-003333, VP11506, METHYL5-BROMO-2-HYDROXYNICOTINATE, AJ-62308, AK-44252, AN-11356, AB0002378, AB1007415, 5-Bromo-2-hydroxynicotinic acid methyl ester, FT-0646873, Z8187, A-5395, C-6354, SR-01000308047, 10W-0208, 5-BROMO-3-METHOXYCARBONYL-2(1H)-PYRIDINONE, I02-1877, J-522455, SR-01000308047-1, 2-Hydroxy-5-bromopyridine-3-carboxylic acid methyl ester, Methyl5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate, C7H6BrNO3, ZINC03883287, ACN-056419, CID2763337, N/A,

Complexity	293
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.953g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.033g/mol
Monoisotopic Mass	230.953g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

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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