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85354-91-2 | 1H-Isoindole-1,3(2H)-dione, 2-(2,3-dihydro-1H-benzimidazol-2-yl)-
CAS No: 85354-91-2 Catalog No: AG008FGS MDL No:
Product Description
Catalog Number:
AG008FGS
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(2,3-dihydro-1H-benzimidazol-2-yl)-
CAS Number:
85354-91-2
Molecular Formula:
C15H11N3O2
Molecular Weight:
265.2667
IUPAC Name:
2-(2,3-dihydro-1H-benzimidazol-2-yl)isoindole-1,3-dione
InChI:
InChI=1S/C15H11N3O2/c19-13-9-5-1-2-6-10(9)14(20)18(13)15-16-11-7-3-4-8-12(11)17-15/h1-8,15-17H
InChI Key:
OFJHISDHGMZLEX-UHFFFAOYSA-N
SMILES:
O=C1N(C2Nc3c(N2)cccc3)C(=O)c2c1cccc2
NSC Number:
381789
Properties
Complexity:
401
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:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.272g/mol
Monoisotopic Mass:
265.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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