CAS 89-40-7 | 5-Nitroisoindoline-1,3-dione | CAS Number 89-40-7

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89-40-7 | 5-Nitroisoindoline-1,3-dione

CAS No: 89-40-7 Catalog No: AG003LWI MDL No:MFCD00005884

Product Description

Catalog Number:

AG003LWI

Chemical Name:

5-Nitroisoindoline-1,3-dione

CAS Number:

89-40-7

Molecular Formula:

C8H4N2O4

Molecular Weight:

192.1284

MDL Number:

MFCD00005884

IUPAC Name:

5-nitroisoindole-1,3-dione

InChI:

InChI=1S/C8H4N2O4/c11-7-5-2-1-4(10(13)14)3-6(5)8(12)9-7/h1-3H,(H,9,11,12)

InChI Key:

ANYWGXDASKQYAD-UHFFFAOYSA-N

SMILES:

O=C1NC(=O)c2c1cc(cc2)[N+](=O)[O-]

EC Number:

201-905-5

UNII:

26NA19UI3U

NSC Number:

5394

Properties

Complexity:

309

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

192.017g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

192.13g/mol

Monoisotopic Mass:

192.017g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Design, synthesis and protection against pentylenetetrazole-induced seizure of N-aryl derivatives of the phthalimide pharmacophore.	Medicinal chemistry (Shariqah (United Arab Emirates)) 20120901
Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase.	Bioorganic & medicinal chemistry 20120501
Identification of novel isocytosine derivatives as xanthine oxidase inhibitors from a set of virtual screening hits.	Bioorganic & medicinal chemistry 20120501
Colorimetric detection of achiral anions and chiral carboxylates by a chiral thiourea-phthalimide dyad.	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20101028
Isomeric nitrophthalimides: sheets built from N-H...O and C-H...O hydrogen bonds.	Acta crystallographica. Section C, Crystal structure communications 20041201