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143966-14-7 | 1H-Benz[e]isoindole-1,3(2H)-dione, 5-amino-2-(2,4-dimethylphenyl)-
CAS No: 143966-14-7 Catalog No: AG001ING MDL No:
Product Description
Catalog Number:
AG001ING
Chemical Name:
1H-Benz[e]isoindole-1,3(2H)-dione, 5-amino-2-(2,4-dimethylphenyl)-
CAS Number:
143966-14-7
Molecular Formula:
C20H16N2O2
Molecular Weight:
316.3532
IUPAC Name:
5-amino-2-(2,4-dimethylphenyl)benzo[e]isoindole-1,3-dione
InChI:
InChI=1S/C20H16N2O2/c1-11-7-8-17(12(2)9-11)22-19(23)15-10-16(21)13-5-3-4-6-14(13)18(15)20(22)24/h3-10H,21H2,1-2H3
InChI Key:
MRTGOOQYPXPLRF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)N1C(=O)c2c(C1=O)cc(c1c2cccc1)N
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.36g/mol
Monoisotopic Mass:
316.121g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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