AG002Y24

293294-72-1 | 2,​6-​Pyridinedicarboxylic acid, 4-​bromo-​, 2-​methyl ester

AG002Y24

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CAS Number	293294-72-1
Catalog Number	AG002Y24(AGN-PC-080FMM)
Chemical Name	2,​6-​Pyridinedicarboxylic acid, 4-​bromo-​, 2-​methyl ester
IUPAC Name	4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid
InChI	InChI=1S/C8H6BrNO4/c1-14-8(13)6-3-4(9)2-5(10-6)7(11)12/h2-3H,1H3,(H,11,12)
InChI Key	QCOHUYJZSNJBBC-UHFFFAOYSA-N
MDL Number	MFCD13190561
Molecular Formula	C8H6BrNO4
Molecular Weight	260.0415
SMILES	C(=O)(OC)c1nc(C(=O)O)cc(c1)Br
Synonyms	4-Bromo-6-(methoxycarbonyl)picolinic acid, 293294-72-1, 4-BROMO-6-(METHOXYCARBONYL)PYRIDINE-2-CARBOXYLIC ACID, SCHEMBL400775, CTK8C1823, DTXSID20677435, QCOHUYJZSNJBBC-UHFFFAOYSA-N, ANW-67315, MFCD13190561, ZINC66327889, AKOS015891814, AB70398, FCH1381483, ACM293294721, AK-89125, AM803646, AS-39676, SC-92747, AJ-116080, AX8237153, DB-068101, TC-156060, FT-0755234, methyl hydrogen 4-bromopyridine-2,6-dicarboxylate, 4-bromo-6-methoxycarbonylpyridine-2-carboxylic acid, I02-2488, I02-2956, 4-Bromo-6-(methoxycarbonyl)picolinicacid,

Complexity	246
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	258.948g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	260.043g/mol
Monoisotopic Mass	258.948g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	76.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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