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Home > Indoles and Oxindole > 89024-44-2
89024-44-2 | 1H-Isoindole-1,3(2H)-dione, 2-(4-ethylphenyl)-4-nitro-
CAS No: 89024-44-2 Catalog No: AG0088AK MDL No:
Product Description
Catalog Number:
AG0088AK
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-(4-ethylphenyl)-4-nitro-
CAS Number:
89024-44-2
Molecular Formula:
C16H12N2O4
Molecular Weight:
296.2775
IUPAC Name:
2-(4-ethylphenyl)-4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C16H12N2O4/c1-2-10-6-8-11(9-7-10)17-15(19)12-4-3-5-13(18(21)22)14(12)16(17)20/h3-9H,2H2,1H3
InChI Key:
SKSSVRMVCUGHCI-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)N1C(=O)c2c(C1=O)cccc2[N+](=O)[O-]
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.08g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.282g/mol
Monoisotopic Mass:
296.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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