chempirical

4-Hydroxy-7-nitro-1(2H)-phthalazinone

C8H5N3O4CAS 3682-19-7207.14 g/mol

Open in Covalent MOL file
ON+O−OHNNHO
NitroPhenol

Properties

Molecular formula
C8H5N3O4
Molar mass
207.14 g/mol
Exact mass
207.0280 Da
logP
0.95Crippen estimate
Polar surface area
109.4 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
1

Identifiers

CAS number
3682-19-7
SMILES
O=[N+]([O-])c1ccc2c(O)nnc(O)c2c1
InChIKey
XQFIOLKLHNOFCA-UHFFFAOYSA-N
InChI
InChI=1S/C8H5N3O4/c12-7-5-2-1-4(11(14)15)3-6(5)8(13)10-9-7/h1-3H,(H,9,12)(H,10,13)

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

Names and synonyms

5 names
  • 1(2H)-Phthalazinone, 4-hydroxy-7-nitro-
  • 1,4-Phthalazinedione, 2,3-dihydro-6-nitro-
  • 6-Nitrophthalhydrazide
  • NSC 9339
  • 7-Nitro-2,3-dihydrophthalazine-1,4-dione

Work with 4-Hydroxy-7-nitro-1(2H)-phthalazinone

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

4-Nitrocatechol3316-09-451 % similar 2,5-Dinitrophenol329-71-549 % similar 2,4-Dinitrophenol51-28-549 % similar 6-Nitro-2-benzoxazolone4694-91-148 % similar 5-Nitrosalicylaldehyde97-51-848 % similar 2-Amino-5-nitrophenol121-88-047 % similar 4-Nitro-2(1H)-pyridinone4487-51-847 % similar 2-Methyl-4-nitrophenol99-53-647 % similar

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

Same formula

5-Nitrophthalhydrazide3682-15-3

Elsewhere

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