Home Halogens methyl 5-chloro-6-oxo-1,6-dihydropyridazine-3-carboxylate

methyl 5-chloro-6-oxo-1,6-dihydropyridazine-3-carboxylate

CAS No.:
1591827-52-9
Catalog Number:
AG01DVQ0
Molecular Formula:
C6H5ClN2O3
Molecular Weight:
188.5685
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Product Description
Catalog Number:
AG01DVQ0
Chemical Name:
methyl 5-chloro-6-oxo-1,6-dihydropyridazine-3-carboxylate
CAS Number:
1591827-52-9
Molecular Formula:
C6H5ClN2O3
Molecular Weight:
188.5685
MDL Number:
MFCD29081497
IUPAC Name:
methyl 4-chloro-3-oxo-4H-pyridazine-6-carboxylate
InChI:
InChI=1S/C6H5ClN2O3/c1-12-6(11)4-2-3(7)5(10)9-8-4/h2-3H,1H3
InChI Key:
ZMQCUGDJQCMMIT-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c(=O)[nH]n1
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.999g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.567g/mol
Monoisotopic Mass:
187.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties