chempirical

4-Cyano-2-nitrophenol

C7H4N2O3CAS 3272-08-0164.12 g/mol

Open in Covalent MOL file
NOHN+OO−
NitrileNitroPhenol

Properties

Molecular formula
C7H4N2O3
Molar mass
164.12 g/mol
Exact mass
164.0222 Da
Melting point
144 °C
logP
1.17Crippen estimate
Polar surface area
87.2 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
3272-08-0
SMILES
N#Cc1ccc(O)c([N+](=O)[O-])c1
InChIKey
INBLGVOPOSGVTA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H

Weigh it out

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

Names and synonyms

5 names
  • Benzonitrile, 4-hydroxy-3-nitro-
  • 4-Hydroxy-3-nitrobenzonitrile
  • 3-Nitro-4-hydroxybenzonitrile
  • 5-Nitro-4-hydroxybenzonitrile
  • 2-Nitro-4-cyanophenol

Work with 4-Cyano-2-nitrophenol

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-Fluoro-3-nitrobenzonitrile1009-35-463 % similar 4-Amino-3-nitrobenzonitrile6393-40-463 % similar 4-Methyl-3-nitrobenzonitrile939-79-763 % similar 4-Chloro-3-nitrobenzonitrile939-80-063 % similar 3-Methyl-4-nitrobenzonitrile96784-54-259 % similar 2,4-Dinitrophenol51-28-558 % similar 4-Fluoro-2-nitrophenol394-33-257 % similar 4-Phenyl-2-nitrophenol885-82-556 % similar

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

Same formula

4-Nitrophenyl isocyanate100-28-7 2,1,3-Benzoxadiazole-5-carboxylic acid19155-88-5 2-Nitrophenyl isocyanate3320-86-3 3-Nitrophenyl isocyanate3320-87-4

Elsewhere

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