chempirical

Chloroxynil

C7H3Cl2NOCAS 1891-95-8188.01 g/mol

Open in Covalent MOL file
NClOHCl
Aryl halideNitrilePhenol

Properties

Molecular formula
C7H3Cl2NO
Molar mass
188.01 g/mol
Exact mass
186.9592 Da
Melting point
144–145 °C
logP
2.57Crippen estimate
Polar surface area
44.0 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
1891-95-8
SMILES
N#Cc1cc(Cl)c(O)c(Cl)c1
InChIKey
YRSSHOVRSMQULE-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO/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

4 names
  • Benzonitrile, 3,5-dichloro-4-hydroxy-
  • 3,5-Dichloro-4-hydroxybenzonitrile
  • 2,6-Dichloro-4-cyanophenol
  • 4-Cyano-2,6-dichlorophenol

Work with Chloroxynil

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-Amino-3,5-dichlorobenzonitrile78473-00-457 % similar 3,4-Dichlorobenzonitrile6574-99-854 % similar Ioxynil1689-83-452 % similar Bromoxynil1689-84-552 % similar 4-Hydroxy-3,5-dimethylbenzonitrile4198-90-752 % similar 2,4,6-Trichlorophenol88-06-250 % similar 3-Chloro-5-hydroxybenzonitrile473923-97-648 % similar 3,5-Dihydroxybenzonitrile19179-36-348 % similar

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

Same formula

3,4-Dichlorophenyl isocyanate102-36-3 2,4-Dichlorophenyl isocyanate2612-57-9 3,5-Dichlorophenyl isocyanate34893-92-0 2,6-Dichlorobenzoxazole3621-82-7 2,6-Dichlorophenyl isocyanate39920-37-1 2,3-Dichlorophenyl isocyanate41195-90-8 2,5-Dichlorophenyl isocyanate5392-82-5

Elsewhere

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