chempirical

5-Nitroisatoic anhydride

C8H4N2O5CAS 4693-02-1208.13 g/mol

Open in Covalent MOL file
OOOHNN+OO−
NitroPhenol

Properties

Molecular formula
C8H4N2O5
Molar mass
208.13 g/mol
Exact mass
208.0120 Da
Melting point
224–232 °C (decomposes)
logP
0.80Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
1

Identifiers

CAS number
4693-02-1
SMILES
O=c1oc(O)nc2ccc([N+](=O)[O-])cc12
InChIKey
WWUBAHSWMPFIQZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H4N2O5/c11-7-5-3-4(10(13)14)1-2-6(5)9-8(12)15-7/h1-3H,(H,9,12)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-nitro-
  • 6-Nitro-2H-3,1-benzoxazine-2,4(1H)-dione
  • 6-Nitro-1H-benzo[d][1,3]oxazine-2,4-dione
  • NSC 73615
  • 6-Nitro-benzo[d][1,3]oxazine-2,4-dione

Work with 5-Nitroisatoic anhydride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

6-Nitro-2-benzoxazolone4694-91-167 % similar 5-Chloroisatoic anhydride4743-17-357 % similar 4-Hydroxy-7-nitro-1(2H)-phthalazinone3682-19-747 % similar 2-Methyl-6-nitrobenzoxazole5683-43-246 % similar 1,3-Dihydro-5-nitro-2H-benzimidazol-2-one93-84-546 % similar 3-Amino-5-nitro-2,1-benzisothiazole14346-19-143 % similar 4-Nitrocatechol3316-09-442 % similar 2-Methyl-6-nitroquinoline613-30-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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