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100823-01-6 | 1H-Isoindole-1,3(2H)-dione, 5-amino-2-(2,6-diethylphenyl)-
CAS No: 100823-01-6 Catalog No: AG0002YD MDL No:
Product Description
Catalog Number:
AG0002YD
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 5-amino-2-(2,6-diethylphenyl)-
CAS Number:
100823-01-6
Molecular Formula:
C18H18N2O2
Molecular Weight:
294.3477
IUPAC Name:
5-amino-2-(2,6-diethylphenyl)isoindole-1,3-dione
InChI:
InChI=1S/C18H18N2O2/c1-3-11-6-5-7-12(4-2)16(11)20-17(21)14-9-8-13(19)10-15(14)18(20)22/h5-10H,3-4,19H2,1-2H3
InChI Key:
LLZSUPHRJJJVFQ-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1N1C(=O)c2c(C1=O)cc(cc2)N)CC
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.137g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.354g/mol
Monoisotopic Mass:
294.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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