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25505-99-1 | 4,6-Diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one
CAS No: 25505-99-1 Catalog No: AG00BRNJ MDL No:
Product Description
Catalog Number:
AG00BRNJ
Chemical Name:
4,6-Diphenylisoxazolo[3,4-d]pyridazin-7(6H)-one
CAS Number:
25505-99-1
IUPAC Name:
4,6-diphenyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C17H11N3O2/c21-17-16-14(11-22-19-16)15(12-7-3-1-4-8-12)18-20(17)13-9-5-2-6-10-13/h1-11H
InChI Key:
LBUYGKIHAVPWJS-UHFFFAOYSA-N
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.085g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.294g/mol
Monoisotopic Mass:
289.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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