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Home > Pyridines > 1171457-68-3
1171457-68-3 | 1,4-diphenyltetrahydropyridazin-3(2H)-one
CAS No: 1171457-68-3 Catalog No: AG01EQUG MDL No:
Product Description
Catalog Number:
AG01EQUG
Chemical Name:
1,4-diphenyltetrahydropyridazin-3(2H)-one
CAS Number:
1171457-68-3
Molecular Formula:
C16H16N2O
Molecular Weight:
252.3110
IUPAC Name:
1,4-diphenyldiazinan-3-one
InChI:
InChI=1S/C16H16N2O/c19-16-15(13-7-3-1-4-8-13)11-12-18(17-16)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,17,19)
InChI Key:
VQEJHYWYPLXTKQ-UHFFFAOYSA-N
SMILES:
O=C1NN(CCC1c1ccccc1)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.317g/mol
Monoisotopic Mass:
252.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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