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88976-70-9 | 1,4-Phthalazinedione, 2,3-dihydro-2-[(phenylmethylene)amino]-
CAS No: 88976-70-9 Catalog No: AG0046IM MDL No:
Product Description
Catalog Number:
AG0046IM
Chemical Name:
1,4-Phthalazinedione, 2,3-dihydro-2-[(phenylmethylene)amino]-
CAS Number:
88976-70-9
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
IUPAC Name:
3-(benzylideneamino)-2H-phthalazine-1,4-dione
InChI:
InChI=1S/C15H11N3O2/c19-14-12-8-4-5-9-13(12)15(20)18(17-14)16-10-11-6-2-1-3-7-11/h1-10H,(H,17,19)
InChI Key:
GKJXIZHOMGKWGQ-UHFFFAOYSA-N
SMILES:
O=c1[nH]n(N=Cc2ccccc2)c(=O)c2c1cccc2
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.3
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