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Home > Pyridines > 139285-98-6
139285-98-6 | 3(2H)-Pyridazinone, 4-(hydrazinylidenephenylmethyl)-6-phenyl-
CAS No: 139285-98-6 Catalog No: AG001AOI MDL No:
Product Description
Catalog Number:
AG001AOI
Chemical Name:
3(2H)-Pyridazinone, 4-(hydrazinylidenephenylmethyl)-6-phenyl-
CAS Number:
139285-98-6
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
IUPAC Name:
3-phenyl-5-(C-phenylcarbonohydrazonoyl)-1H-pyridazin-6-one
InChI:
InChI=1S/C17H14N4O/c18-19-16(13-9-5-2-6-10-13)14-11-15(20-21-17(14)22)12-7-3-1-4-8-12/h1-11H,18H2,(H,21,22)
InChI Key:
QKKVVQHJOVVBEN-UHFFFAOYSA-N
SMILES:
NN=C(c1cc(n[nH]c1=O)c1ccccc1)c1ccccc1
Properties
Complexity:
509
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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