chempirical

2-Chloro-4,6-dinitrophenol

C6H3ClN2O5CAS 946-31-6218.55 g/mol

Open in Covalent MOL file
ON+O−ClOHN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C6H3ClN2O5
Molar mass
218.55 g/mol
Exact mass
217.9730 Da
Melting point
113–114 °C
logP
1.86Crippen estimate
Polar surface area
106.5 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Identifiers

CAS number
946-31-6
SMILES
O=[N+]([O-])c1cc(Cl)c(O)c([N+](=O)[O-])c1
InChIKey
PCBCIXWBAPIVDV-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClN2O5/c7-4-1-3(8(11)12)2-5(6(4)10)9(13)14/h1-2,10H

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Names and synonyms

6 names
  • Phenol, 2-chloro-4,6-dinitro-
  • 2,4-Dinitro-6-chlorophenol
  • 6-Chloro-2,4-dinitrophenol
  • NSC 3
  • NSC 38993
  • NSC 6072

Work with 2-Chloro-4,6-dinitrophenol

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

2,6-Dichloro-4-nitrophenol618-80-483 % similar Picric acid88-89-176 % similar 2,4-Dichloro-6-nitrophenol609-89-273 % similar Dunnite131-74-869 % similar 2-Amino-6-chloro-4-nitrophenol6358-09-469 % similar 2-Chloro-6-nitrophenol603-86-167 % similar 6-Chloro-2,4-dinitroaniline3531-19-963 % similar 2-Methyl-4,6-dinitrophenol534-52-163 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook