chempirical

4-[(4-Nitrophenyl)azo]-1,2-benzenediol

C12H9N3O4CAS 843-33-4259.22 g/mol

Open in Covalent MOL file
ON+O−NNOHOH
AzoNitroPhenol

Properties

Molecular formula
C12H9N3O4
Molar mass
259.22 g/mol
Exact mass
259.0593 Da
Melting point
232–234 °C
logP
3.42Crippen estimate
Polar surface area
108.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
843-33-4
SMILES
O=[N+]([O-])c1ccc(N=Nc2ccc(O)c(O)c2)cc1
InChIKey
DGOZWUSVOBKXNR-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O4/c16-11-6-3-9(7-12(11)17)14-13-8-1-4-10(5-2-8)15(18)19/h1-7,16-17H

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Names and synonyms

10 names
  • 1,2-Benzenediol, 4-[2-(4-nitrophenyl)diazenyl]-
  • Pyrocatechol, 4-[(p-nitrophenyl)azo]-
  • 1,2-Benzenediol, 4-[(4-nitrophenyl)azo]-
  • 4-[2-(4-Nitrophenyl)diazenyl]-1,2-benzenediol
  • 3,4-Dihydroxy-4′-nitroazobenzene
  • 4-[(4-Nitrophenyl)azo]pyrocatechol
  • p-(p-Nitrophenylazo)pyrocatechol
  • 4-(4-Nitrophenylazo)-1,2-dihydroxybenzene
  • 4-(p-Nitrobenzeneazo)pyrocatechin
  • NSC 75879

Work with 4-[(4-Nitrophenyl)azo]-1,2-benzenediol

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

Mordant orange 12243-76-767 % similar 4-Nitrocatechol3316-09-467 % similar Alizarine yellow R1718-34-962 % similar 4-[2-(4-Nitrophenyl)diazenyl]-1-naphthalenol5290-62-062 % similar Para red6410-10-259 % similar 4-Amino-4′-nitroazobenzene730-40-557 % similar 2,4-Dinitrophenol51-28-554 % similar 2-Methyl-4-nitrophenol99-53-653 % similar

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

Same formula

2-[(2,4-Dinitrophenyl)methyl]pyridine1151-97-9 2,4′-Dinitrodiphenylamine612-36-2 Azo violet74-39-5 2,4-Dinitrodiphenylamine961-68-2

Elsewhere

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