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Home > Indoles and Oxindole > 116480-64-9
116480-64-9 | 1H-Isoindole-1,3(2H)-dione, 2-(1H-indol-5-yl)-
CAS No: 116480-64-9 Catalog No: AG000CL6 MDL No:
Product Description
Catalog Number:
AG000CL6
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(1H-indol-5-yl)-
CAS Number:
116480-64-9
Molecular Formula:
C16H10N2O2
Molecular Weight:
262.2628
IUPAC Name:
2-(1H-indol-5-yl)isoindole-1,3-dione
InChI:
InChI=1S/C16H10N2O2/c19-15-12-3-1-2-4-13(12)16(20)18(15)11-5-6-14-10(9-11)7-8-17-14/h1-9,17H
InChI Key:
QLJHMMUJAPJBKZ-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc3c(c2)cc[nH]3)C(=O)c2c1cccc2
Properties
Complexity:
412
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.268g/mol
Monoisotopic Mass:
262.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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