chempirical

3,5-Dinitrosalicylic acid

C7H4N2O7CAS 609-99-4228.12 g/mol

Open in Covalent MOL file
OHON+OO−N+OO−HO
Carboxylic acidNitroPhenol

Properties

Molecular formula
C7H4N2O7
Molar mass
228.12 g/mol
Exact mass
228.0019 Da
Melting point
170 °C
logP
0.91Crippen estimate
Polar surface area
143.8 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
609-99-4
SMILES
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O
InChIKey
LWFUFLREGJMOIZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O7/c10-6-4(7(11)12)1-3(8(13)14)2-5(6)9(15)16/h1-2,10H,(H,11,12)

Weigh it out

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

Names and synonyms

7 names
  • Benzoic acid, 2-hydroxy-3,5-dinitro-
  • Salicylic acid, 3,5-dinitro-
  • 2-Hydroxy-3,5-dinitrobenzoic acid
  • 3,5-Dinitro-2-hydroxybenzoic acid
  • DNS
  • NSC 181
  • TCI-D 0850

Work with 3,5-Dinitrosalicylic acid

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

2-Bromo-3,5-dinitrobenzoic acid116529-60-368 % similar 2-Chloro-3,5-dinitrobenzoic acid2497-91-868 % similar 2-Methyl-3,5-dinitrobenzoic acid28169-46-268 % similar Picric acid88-89-165 % similar 2,5-Dinitrobenzoic acid610-28-664 % similar 2,4-Dinitrobenzoic acid610-30-064 % similar Methyl 2-hydroxy-3,5-dinitrobenzoate22633-33-663 % similar 3-Nitrosalicylic acid85-38-163 % similar

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

Elsewhere

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