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89593-76-0 | Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester
CAS No: 89593-76-0 Catalog No: AG003XDV MDL No:
Product Description
Catalog Number:
AG003XDV
Chemical Name:
Benzoic acid, 4-(4,5-dichloro-6-oxo-1(6H)-pyridazinyl)-, ethyl ester
CAS Number:
89593-76-0
Molecular Formula:
C13H10Cl2N2O3
Molecular Weight:
313.1361
IUPAC Name:
ethyl 4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoate
InChI:
InChI=1S/C13H10Cl2N2O3/c1-2-20-13(19)8-3-5-9(6-4-8)17-12(18)11(15)10(14)7-16-17/h3-7H,2H2,1H3
InChI Key:
BHJNVIXRXGBUMD-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)n1ncc(c(c1=O)Cl)Cl
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.134g/mol
Monoisotopic Mass:
312.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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