chempirical

Nifursol

C12H7N5O9CAS 16915-70-1365.21 g/mol

Open in Covalent MOL file
ON+O−ONHNN+OO−OOHN+OO−
ImineNitroPhenol

Properties

Molecular formula
C12H7N5O9
Molar mass
365.21 g/mol
Exact mass
365.0244 Da
Melting point
227–229 °C
logP
2.05Crippen estimate
Polar surface area
207.7 Ų
H-bond donors / acceptors
2 / 10
Rotatable bonds
6

Identifiers

CAS number
16915-70-1
SMILES
O=[N+]([O-])c1cc(C(O)=NN=Cc2ccc([N+](=O)[O-])o2)c(O)c([N+](=O)[O-])c1
InChIKey
XXUXXCZCUGIGPP-UHFFFAOYSA-N
InChI
InChI=1S/C12H7N5O9/c18-11-8(3-6(15(20)21)4-9(11)16(22)23)12(19)14-13-5-7-1-2-10(26-7)17(24)25/h1-5,18H,(H,14,19)

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Names and synonyms

9 names
  • Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-[(5-nitro-2-furanyl)methylene]hydrazide
  • Salicylic acid, 3,5-dinitro-, (5-nitrofurfurylidene)hydrazide
  • Benzoic acid, 2-hydroxy-3,5-dinitro-, [(5-nitro-2-furanyl)methylene]hydrazide
  • 3,5-Dinitrosalicylic acid (5-nitrofurfurylidene)hydrazide
  • Histomon
  • Salfuride
  • Sulfuride
  • 2-Hydroxy-3,5-dinitro-N′-((5-nitrofuran-2-yl)methylene)benzohydrazide
  • BT06G06

Work with Nifursol

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

Nifuroxazide965-52-661 % similar 3,5-Dinitrosalicylic acid609-99-450 % similar Nitrofurazone59-87-045 % similar Picric acid88-89-145 % similar Methyl 2-hydroxy-3,5-dinitrobenzoate22633-33-644 % similar Dunnite131-74-842 % similar 3,5-Dinitrosalicylaldehyde2460-59-542 % similar 3-(5-Nitro-2-furyl)acrylic acid6281-23-841 % similar

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

Elsewhere

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