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Home > Imidazoles > 86798-76-7
86798-76-7 | 3(2H)-Pyridazinone, 6-[4-(1H-imidazol-1-yl)phenyl]-5-methyl-
CAS No: 86798-76-7 Catalog No: AG004RSO MDL No:
Product Description
Catalog Number:
AG004RSO
Chemical Name:
3(2H)-Pyridazinone, 6-[4-(1H-imidazol-1-yl)phenyl]-5-methyl-
CAS Number:
86798-76-7
Molecular Formula:
C14H12N4O
Molecular Weight:
252.2713
IUPAC Name:
3-(4-imidazol-1-ylphenyl)-4-methyl-1H-pyridazin-6-one
InChI:
InChI=1S/C14H12N4O/c1-10-8-13(19)16-17-14(10)11-2-4-12(5-3-11)18-7-6-15-9-18/h2-9H,1H3,(H,16,19)
InChI Key:
JHCQIYAUCIHYNU-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)[nH]nc1c1ccc(cc1)n1cncc1
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.277g/mol
Monoisotopic Mass:
252.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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