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Home > Indoles and Oxindole > 36647-25-3
36647-25-3 | 2-(3-nitrophenyl)isoindole-1,3-dione
CAS No: 36647-25-3 Catalog No: AG0078SI MDL No:MFCD00209453
Product Description
Catalog Number:
AG0078SI
Chemical Name:
2-(3-nitrophenyl)isoindole-1,3-dione
CAS Number:
36647-25-3
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
MDL Number:
MFCD00209453
IUPAC Name:
2-(3-nitrophenyl)isoindole-1,3-dione
InChI:
InChI=1S/C14H8N2O4/c17-13-11-6-1-2-7-12(11)14(18)15(13)9-4-3-5-10(8-9)16(19)20/h1-8H
InChI Key:
SREHWIURBJQDOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)N1C(=O)c2c(C1=O)cccc2
NSC Number:
406340
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.048g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.228g/mol
Monoisotopic Mass:
268.048g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| A three-dimensional hydrogen-bonded framework in N-(3-nitrophenyl)phthalimide, and hydrogen-bonded chains of rings in N-(3,5-dinitrophenyl)phthalimide, linked into sheets by dipolar interactions. | Acta crystallographica. Section C, Crystal structure communications 20040101 |
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