AG001BAZ

13958-91-3 | 4-Pyridinecarboxylic acid, 3,5-dibromo-

AG001BAZ

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CAS Number	13958-91-3
Catalog Number	AG001BAZ(AGN-PC-00OVPH)
Chemical Name	4-Pyridinecarboxylic acid, 3,5-dibromo-
IUPAC Name	3,5-dibromopyridine-4-carboxylic acid
InChI	InChI=1S/C6H3Br2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChI Key	LRKLXFGPVUZEDK-UHFFFAOYSA-N
MDL Number	MFCD08689615
Molecular Formula	C6H3Br2NO2
Molecular Weight	280.9015
SMILES	O=C(O)c1c(cncc1Br)Br
Synonyms	3,5-dibromoisonicotinic acid, 13958-91-3, 3,5-DIBROMOPYRIDINE-4-CARBOXYLIC ACID, 4-Pyridinecarboxylic acid, 3,5-dibromo-, 3,5-Dibromo-4-pyridinecarboxylic acid, 3,5-Dibromo-isonicotinicacid, KSC173O2T, SCHEMBL4061073, CTK0H3729, DTXSID30571455, ACT07873, ANW-74376, MFCD08689615, ZINC34529491, AKOS005258154, TRA0001340, VP13386, 4-Pyridinecarboxylicacid, 3,5-dibromo-, 3,5-Di bromo pyridine-4-carboxylic acid, AJ-89116, AK-59054, DS-16276, QC-10273, SC-14692, SY022262, AB0005111, DB-063314, RT-002400, 4CH-009288, FT-0686354, ST24028209, X1279, 3,5-Dibromopyridine-4-carboxylic acid, 95%, MFCD08689615 (97%), L-2168, I14-36684, C6H3Br2NO2, 3,5-Dibromopyridine-4-carboxylicacid, 2,6-Dibromopyridine-3-carboxylic acid,

Complexity	155
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	280.851g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	280.903g/mol
Monoisotopic Mass	278.853g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.8

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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