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129109-19-9 | 3-Pyridazinecarboxylic acid, 4-chloro-1-(4-chlorophenyl)-1,6-dihydro-6-oxo-, methyl ester
CAS No: 129109-19-9 Catalog No: AG000YUI MDL No:MFCD00141184
Product Description
Catalog Number:
AG000YUI
Chemical Name:
3-Pyridazinecarboxylic acid, 4-chloro-1-(4-chlorophenyl)-1,6-dihydro-6-oxo-, methyl ester
CAS Number:
129109-19-9
Molecular Formula:
C12H8Cl2N2O3
Molecular Weight:
299.1095
MDL Number:
MFCD00141184
IUPAC Name:
methyl 4-chloro-1-(4-chlorophenyl)-6-oxopyridazine-3-carboxylate
InChI:
InChI=1S/C12H8Cl2N2O3/c1-19-12(18)11-9(14)6-10(17)16(15-11)8-4-2-7(13)3-5-8/h2-6H,1H3
InChI Key:
CBOGCPKOHRRUET-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c2ccc(cc2)Cl)c(=O)cc1Cl
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.991g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.107g/mol
Monoisotopic Mass:
297.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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