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100873-75-4 | 1H-Isoindole-1,3(2H)-dione, 2-[(4-nitrophenyl)amino]-
CAS No: 100873-75-4 Catalog No: AG00032D MDL No:
Product Description
Catalog Number:
AG00032D
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(4-nitrophenyl)amino]-
CAS Number:
100873-75-4
Molecular Formula:
C14H9N3O4
Molecular Weight:
283.2390
IUPAC Name:
2-(4-nitroanilino)isoindole-1,3-dione
InChI:
InChI=1S/C14H9N3O4/c18-13-11-3-1-2-4-12(11)14(19)16(13)15-9-5-7-10(8-6-9)17(20)21/h1-8,15H
InChI Key:
KNDJVIXCODRRSE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)NN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.059g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.243g/mol
Monoisotopic Mass:
283.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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