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28506-40-3

28506-40-3 | 3(2H)-Pyridazinone, 4-(4-methoxyphenyl)-5,6-diphenyl-

CAS No: 28506-40-3 Catalog No: AG002VJV MDL No:

Product Description

Catalog Number:
AG002VJV
Chemical Name:
3(2H)-Pyridazinone, 4-(4-methoxyphenyl)-5,6-diphenyl-
CAS Number:
28506-40-3
Molecular Formula:
C23H18N2O2
Molecular Weight:
354.4012
IUPAC Name:
5-(4-methoxyphenyl)-3,4-diphenyl-1H-pyridazin-6-one
InChI:
InChI=1S/C23H18N2O2/c1-27-19-14-12-17(13-15-19)21-20(16-8-4-2-5-9-16)22(24-25-23(21)26)18-10-6-3-7-11-18/h2-15H,1H3,(H,25,26)
InChI Key:
OAYYIKFKPKRFHB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1c(=O)[nH]nc(c1c1ccccc1)c1ccccc1
NSC Number:
131537

Properties

Complexity:
590  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.137g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
354.409g/mol
Monoisotopic Mass:
354.137g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
50.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  

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