AG003QDD

61404-41-9 | Ethyl 6-chloro-3-hydroxypyridazine-4-carboxylate

AG003QDD

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CAS Number	61404-41-9
Catalog Number	AG003QDD(AGN-PC-0NIN4W)
Chemical Name	Ethyl 6-chloro-3-hydroxypyridazine-4-carboxylate
IUPAC Name	ethyl 3-chloro-6-oxo-1H-pyridazine-5-carboxylate
InChI	InChI=1S/C7H7ClN2O3/c1-2-13-7(12)4-3-5(8)9-10-6(4)11/h3H,2H2,1H3,(H,10,11)
InChI Key	WTBUDFWPROPPOW-UHFFFAOYSA-N
MDL Number	MFCD19703876
Molecular Formula	C7H7ClN2O3
Molecular Weight	202.5951
SMILES	O=C(C1=CC(Cl)=NN=C1O)OCC
Synonyms	Ethyl 6-chloro-3-hydroxypyridazine-4-carboxylate, 61404-41-9, Ethyl 6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate, 4-Pyridazinecarboxylic acid, 6-chloro-2,3-dihydro-3-oxo-, ethyl ester, SCHEMBL4773859, SCHEMBL20471400, CTK2E0703, KS-00000BMW, DTXSID10491708, ANW-48282, MFCD19703876, ZINC39209012, AKOS015919511, AKOS028108847, GS-3898, AJ-99083, AK-48390, BR-48390, DA-16889, SY017201, AB0025826, TC-137027, 4CH-010347, CS-0030497, FT-0727545, ST24025038, W7367, MFCD20926323 (95%), S-4307, Ethyl6-Chloro-3-oxo-2,3-dihydropyridazine-4-carboxylate, C7H7ClN2O3,

Complexity	309
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	202.015g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	202.594g/mol
Monoisotopic Mass	202.015g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	67.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

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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