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952182-91-1 | 4-(naphthalen-2-yl)-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CAS No: 952182-91-1 Catalog No: AG00ITLI MDL No:MFCD09152703
Product Description
Catalog Number:
AG00ITLI
Chemical Name:
4-(naphthalen-2-yl)-6H,7H-[1,2]oxazolo[3,4-d]pyridazin-7-one
CAS Number:
952182-91-1
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
MDL Number:
MFCD09152703
IUPAC Name:
4-naphthalen-2-yl-6H-[1,2]oxazolo[3,4-d]pyridazin-7-one
InChI:
InChI=1S/C15H9N3O2/c19-15-14-12(8-20-18-14)13(16-17-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,17,19)
InChI Key:
QVBLSGJBQAJWDM-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc(c2c1noc2)c1ccc2c(c1)cccc2
Properties
Complexity:
437
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.256g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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