chempirical

Ioxynil

C7H3I2NOCAS 1689-83-4370.92 g/mol

Open in Covalent MOL file
NIOHI
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H3I2NO
Molar mass
370.92 g/mol
Exact mass
370.8304 Da
Melting point
212–213 °C
logP
2.47Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
1689-83-4
SMILES
N#Cc1cc(I)c(O)c(I)c1
InChIKey
NRXQIUSYPAHGNM-UHFFFAOYSA-N
InChI
InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H

Weigh it out

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

Names and synonyms

16 names · show all
  • Benzonitrile, 4-hydroxy-3,5-diiodo-
  • 4-Hydroxy-3,5-diiodobenzonitrile
  • 3,5-Diiodo-4-hydroxybenzonitrile
  • Actril
  • Certrol
  • 4-Cyano-2,6-diiodophenol
  • CA 69-15
  • Joxynil
  • Trevespan
  • 2,6-Diiodo-4-cyanophenol
  • Bentrol
  • Cipotril
  • Exp 30004A
  • Ioksynil
  • MB 8873
  • Toxynil

Work with Ioxynil

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

Nitroxynil1689-89-060 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-757 % similar Bromoxynil1689-84-552 % similar Chloroxynil1891-95-852 % similar 2,4,6-Triiodophenol609-23-450 % similar 3,5-Dihydroxybenzonitrile19179-36-348 % similar 4-Hydroxy-3,5-diiodobenzaldehyde1948-40-942 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-639 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook