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Home > Imidazoles > 89198-09-4
89198-09-4 | 4,5-Dihydro-6-(p-imidazol-1-ylphenyl)-3(2H)-pyridazinone monohydrochloride
CAS No: 89198-09-4 Catalog No: AG003VJD MDL No:
Product Description
Catalog Number:
AG003VJD
Chemical Name:
4,5-Dihydro-6-(p-imidazol-1-ylphenyl)-3(2H)-pyridazinone monohydrochloride
CAS Number:
89198-09-4
Molecular Formula:
C13H13ClN4O
Molecular Weight:
276.7215
IUPAC Name:
3-(4-imidazol-1-ylphenyl)-4,5-dihydro-1H-pyridazin-6-one;hydrochloride
InChI:
InChI=1S/C13H12N4O.ClH/c18-13-6-5-12(15-16-13)10-1-3-11(4-2-10)17-8-7-14-9-17;/h1-4,7-9H,5-6H2,(H,16,18);1H
InChI Key:
BFIMZKOUNDYWCE-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc(cc1)n1cncc1.Cl
UNII:
5EP74J9Q34
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.724g/mol
Monoisotopic Mass:
276.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Phenotype-based screening of mechanistically annotated compounds in combination with gene expression and pathway analysis identifies candidate drug targets in a human squamous carcinoma cell model. | Journal of biomolecular screening 20060801 |
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