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129109-17-7 | 3-Pyridazinecarboxylic acid, 4-chloro-1,6-dihydro-6-oxo-1-phenyl-, methyl ester
CAS No: 129109-17-7 Catalog No: AG000YUK MDL No:MFCD00141141
Product Description
Catalog Number:
AG000YUK
Chemical Name:
3-Pyridazinecarboxylic acid, 4-chloro-1,6-dihydro-6-oxo-1-phenyl-, methyl ester
CAS Number:
129109-17-7
Molecular Formula:
C12H9ClN2O3
Molecular Weight:
264.6645
MDL Number:
MFCD00141141
IUPAC Name:
methyl 4-chloro-6-oxo-1-phenylpyridazine-3-carboxylate
InChI:
InChI=1S/C12H9ClN2O3/c1-18-12(17)11-9(13)7-10(16)15(14-11)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
VEUGMLSNBLYLDK-UHFFFAOYSA-N
SMILES:
COC(=O)c1nn(c2ccccc2)c(=O)cc1Cl
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.03g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.665g/mol
Monoisotopic Mass:
264.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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