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Home > Pyridines > 338748-44-0
338748-44-0 | 6-oxo-4-phenoxy-1-phenyl-1,6-dihydropyridazine-3-carbonitrile
CAS No: 338748-44-0 Catalog No: AG00ITY8 MDL No:MFCD00794582
Product Description
Catalog Number:
AG00ITY8
Chemical Name:
6-oxo-4-phenoxy-1-phenyl-1,6-dihydropyridazine-3-carbonitrile
CAS Number:
338748-44-0
Molecular Formula:
C17H11N3O2
Molecular Weight:
289.2881
MDL Number:
MFCD00794582
IUPAC Name:
6-oxo-4-phenoxy-1-phenylpyridazine-3-carbonitrile
InChI:
InChI=1S/C17H11N3O2/c18-12-15-16(22-14-9-5-2-6-10-14)11-17(21)20(19-15)13-7-3-1-4-8-13/h1-11H
InChI Key:
SBWUYVMOHBMEDZ-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c(=O)cc1Oc1ccccc1)c1ccccc1
Properties
Complexity:
531
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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