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Home > Nitro Compounds > 603-62-3
603-62-3 | 3-Nitrophthalimide
CAS No: 603-62-3 Catalog No: AG003JTT MDL No:MFCD00041852
Product Description
Catalog Number:
AG003JTT
Chemical Name:
3-Nitrophthalimide
CAS Number:
603-62-3
Molecular Formula:
C8H4N2O4
Molecular Weight:
192.1284
MDL Number:
MFCD00041852
IUPAC Name:
4-nitroisoindole-1,3-dione
InChI:
InChI=1S/C8H4N2O4/c11-7-4-2-1-3-5(10(13)14)6(4)8(12)9-7/h1-3H,(H,9,11,12)
InChI Key:
BONIIQYTWOPUQI-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)c2c1cccc2[N+](=O)[O-]
EC Number:
210-051-2
NSC Number:
5393
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
192.13g/mol
Monoisotopic Mass:
192.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Isomeric nitrophthalimides: sheets built from N-H...O and C-H...O hydrogen bonds. | Acta crystallographica. Section C, Crystal structure communications 20041201 |
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