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39499-57-5 | "6-(4-phenoxyphenyl)-4,5-dihydropyridazin-3(2H)-one"
CAS No: 39499-57-5 Catalog No: AG01FMS1 MDL No:MFCD09221220
Product Description
Catalog Number:
AG01FMS1
Chemical Name:
"6-(4-phenoxyphenyl)-4,5-dihydropyridazin-3(2H)-one"
CAS Number:
39499-57-5
Molecular Formula:
C16H14N2O2
Molecular Weight:
266.2946
MDL Number:
MFCD09221220
IUPAC Name:
3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C16H14N2O2/c19-16-11-10-15(17-18-16)12-6-8-14(9-7-12)20-13-4-2-1-3-5-13/h1-9H,10-11H2,(H,18,19)
InChI Key:
MDNFOMPBXKCSSU-UHFFFAOYSA-N
SMILES:
O=C1CCC(=NN1)c1ccc(cc1)Oc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.3g/mol
Monoisotopic Mass:
266.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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