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Home > Indoles and Oxindole > 40392-27-6
40392-27-6 | 5-Nitro-2-phenylisoindoline-1,3-dione
CAS No: 40392-27-6 Catalog No: AG003LVL MDL No:MFCD00191559
Product Description
Catalog Number:
AG003LVL
Chemical Name:
5-Nitro-2-phenylisoindoline-1,3-dione
CAS Number:
40392-27-6
Molecular Formula:
C14H8N2O4
Molecular Weight:
268.2243
MDL Number:
MFCD00191559
IUPAC Name:
5-nitro-2-phenylisoindole-1,3-dione
InChI:
InChI=1S/C14H8N2O4/c17-13-11-7-6-10(16(19)20)8-12(11)14(18)15(13)9-4-2-1-3-5-9/h1-8H
InChI Key:
HNNCFMUZZXJQLR-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccccc2)C(=O)c2c1cc(cc2)[N+](=O)[O-]
Properties
Complexity:
439
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 |
|---|---|
| Chains of edge-fused hydrogen-bonded R3 3(12) rings in N-phenyl-4-nitrophthalimide. | Acta crystallographica. Section C, Crystal structure communications 20050401 |
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