AG00DHVI

50681-26-0 | 6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid

AG00DHVI

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CAS Number	50681-26-0
Catalog Number	AG00DHVI(AGN-PC-0JM9JT)
Chemical Name	6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid
IUPAC Name	3-chloro-6-oxo-1H-pyridazine-5-carboxylic acid
InChI	InChI=1S/C5H3ClN2O3/c6-3-1-2(5(10)11)4(9)8-7-3/h1H,(H,8,9)(H,10,11)
InChI Key	LIXNWFSTAHULTE-UHFFFAOYSA-N
MDL Number	MFCD08246139
Molecular Formula	C5H3ClN2O3
Molecular Weight	174.5419
NSC Number	338205
SMILES	O=C(C1=CC(Cl)=NN=C1O)O
Synonyms	50681-26-0, 6-chloro-3-hydroxypyridazine-4-carboxylic acid, 6-chloro-3-oxo-2,3-dihydropyridazine-4-carboxylic acid, 6-Chloro-3-hydroxy-4-pyridazinecarboxylic acid, NSC338205, MLS003170920, 4-Pyridazinecarboxylic acid, 6-chloro-2,3-dihydro-3-oxo-, 6-chloro-3-hydroxy-pyridazine-4-carboxylic acid, 6-chloro-3-oxo-2H-pyridazine-4-carboxylic acid, NSC 338205, AC1L7EHP, ACMC-209kp6, SCHEMBL1847601, CHEMBL2358559, CTK1H3640, DTXSID30198722, LIXNWFSTAHULTE-UHFFFAOYSA-N, AC1Q7304, KS-00000CS0, ZINC8648310, ANW-31096, ANW-48285, MFCD08246139, AKOS000119217, AKOS015919536, AB66294, DS-1591, MCULE-8847133499, NSC-338205, AJ-57823, AK-48296, BR-48296, SC-87762, SMR001874836, SY017200, AB0025178, DB-071241, TC-137030, 4CH-006305, FT-0726030, ST24033101, W6594, EN300-24189, A23354, S-4336, 3-chloro-6-oxo-1H-pyridazine-5-carboxylic acid, MFCD08246139 (95+%), 4-Pyridazinecarboxylic acid, 6-chloro-2,3-dihydro-, 6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylicAcid, F2124-0636, Z190662954, 6-chloro-3-oxo-2,3-dihydro-pyridazine-4-carboxylic acid, C5H3ClN2O3, CID334015,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	173.983g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	174.54g/mol
Monoisotopic Mass	173.983g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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