AG002XTA

29241-62-1 | 3-Pyridinecarboxylic acid, 5-bromo-6-chloro-

AG002XTA

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CAS Number	29241-62-1
Catalog Number	AG002XTA(AGN-PC-0JP86N)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-6-chloro-
IUPAC Name	5-bromo-6-chloropyridine-3-carboxylic acid
InChI	InChI=1S/C6H3BrClNO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11)
InChI Key	DXEUARPQHJXMII-UHFFFAOYSA-N
MDL Number	MFCD01927098
Molecular Formula	C6H3BrClNO2
Molecular Weight	236.4505
NSC Number	142311
SMILES	O=C(O)C1=CN=C(Cl)C(Br)=C1
Synonyms	5-bromo-6-chloronicotinic acid, 29241-62-1, 5-bromo-6-chloropyridine-3-carboxylic acid, 5-bromo-6-chloro-nicotinic acid, 3-Pyridinecarboxylic acid, 5-bromo-6-chloro-, MFCD01927098, 3-BROMO-2-CHLORO-5-PYRIDINECARBOXYLIC ACID, 3-BROMO-2-CHLOROPYRIDINE-5-CARBOXYLIC ACID, NSC142311, zlchem 1120, PubChem12922, ACMC-1CKHN, AC1Q25MT, KSC203C5J, SCHEMBL439096, AC1L632E, Jsp005577, CTK1A3154, DTXSID90301311, ZLD0588, DXEUARPQHJXMII-UHFFFAOYSA-N, ZINC170402, ABBYPHARMA AP-12-5123, ACN-S004064, ACT02447, ANW-26578, BBL101863, SBB053028, STL555660, AKOS005071440, AB10529, AC-2696, AN-1037, CB-1321, CS-W002863, MCULE-6026165427, NSC-142311, QC-9065, RP05727, RTR-012763, TRA0048828, VP15209, KS-0000051C, AJ-17488, AK-23816, BC003705, BR-23816, SC-27533, SY002596, 2-Chloro-3-bromo-5-pyridinecarboxylic acid, 5-bromo-6-chloro-3-pyridinecarboxylic acid, 5-bromo-6-chloronicotinic acid, AldrichCPR, AB0002372, AB1001399, TL8006939, TR-012763, 3-Pyridinecarboxylicacid, 5-bromo-6-chloro-, 5-bromo-6-chloro-pyridine-3-carboxylic acid, AM20070194, B4355, FT-0648895, ST24029406, V0675, MFCD01927098 (98%), A-3479, B67481, 241B621, 8W-0257, AI-942/13331020, J-517122, C6H3BrClNO2, 5-bromo-6-chloronicotinicacid, AR-1G7479, CID285433, ACN-027075, C2261, 5-Bromo-6-chloronicotinic acid, 97% - 1G 1g, 29485-93-6,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.904g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.449g/mol
Monoisotopic Mass	234.904g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number