chempirical

2,4-Dinitrosoresorcinol

C6H4N2O4CAS 118-02-5168.11 g/mol

Open in Covalent MOL file
ONOHNOHO
Phenol

Properties

Molecular formula
C6H4N2O4
Molar mass
168.11 g/mol
Exact mass
168.0171 Da
logP
1.89Crippen estimate
Polar surface area
99.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
118-02-5
SMILES
O=Nc1ccc(O)c(N=O)c1O
InChIKey
IBZJGOGLCABLDJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4N2O4/c9-4-2-1-3(7-11)6(10)5(4)8-12/h1-2,9-10H

Weigh it out

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

Names and synonyms

7 names
  • 1,3-Benzenediol, 2,4-dinitroso-
  • Resorcinol, 2,4-dinitroso-
  • 2,4-Dinitroso-1,3-benzenediol
  • Rezad 33
  • 1,3-Dihydroxy-2,4-dinitrosobenzene
  • 2,4-Dinitroso-1,3-dihydroxybenzene
  • NSC 1541

Work with 2,4-Dinitrosoresorcinol

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

1-Nitroso-2-naphthol131-91-947 % similar 2-Nitroso-1-naphthol132-53-647 % similar 5-Nitroso-8-hydroxyquinoline3565-26-242 % similar 2-Methyl-4-nitrosophenol6971-38-636 % similar Acid brown M5850-16-835 % similar 2-Nitroso-1-naphthol-4-sulfonic acid3682-32-433 % similar 2,3,4-Trihydroxybenzaldehyde2144-08-332 % similar 2,6-Dimethyl-4-nitrosophenol13331-93-631 % similar

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

Same formula

1,4-Dinitrobenzene100-25-4 2,5-Pyrazinedicarboxylic acid122-05-4 4-Nitropicolinic acid13509-19-8 4,6-Pyrimidine dicarboxylic acid16490-02-1 5-Nitronicotinic acid2047-49-6 6-Nitropyridine-2-carboxylic acid26893-68-5 5-Nitropicolinic acid30651-24-2 2-Nitro-4-pyridinecarboxylic acid33225-74-0

Elsewhere

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