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202800-65-5 | 3(2H)-Pyridazinone, 4,5-dihydro-6-phenyl-4-(phenylmethyl)-
CAS No: 202800-65-5 Catalog No: AG0028FD MDL No:
Product Description
Catalog Number:
AG0028FD
Chemical Name:
3(2H)-Pyridazinone, 4,5-dihydro-6-phenyl-4-(phenylmethyl)-
CAS Number:
202800-65-5
Molecular Formula:
C17H16N2O
Molecular Weight:
264.3217
IUPAC Name:
5-benzyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
InChI:
InChI=1S/C17H16N2O/c20-17-15(11-13-7-3-1-4-8-13)12-16(18-19-17)14-9-5-2-6-10-14/h1-10,15H,11-12H2,(H,19,20)
InChI Key:
KKJQCHCXJJVKCW-UHFFFAOYSA-N
SMILES:
O=C1NN=C(CC1Cc1ccccc1)c1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.126g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.328g/mol
Monoisotopic Mass:
264.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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