chempirical

2,6-Diiodo-4-nitrophenol

C6H3I2NO3CAS 305-85-1390.90 g/mol

Open in Covalent MOL file
ON+O−IOHI
Aryl halideNitroPhenol

Properties

Molecular formula
C6H3I2NO3
Molar mass
390.90 g/mol
Exact mass
390.8202 Da
Melting point
157 °C
logP
2.51Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
305-85-1
SMILES
O=[N+]([O-])c1cc(I)c(O)c(I)c1
InChIKey
UVGTXNPVQOQFQW-UHFFFAOYSA-N
InChI
InChI=1S/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

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Names and synonyms

9 names
  • Phenol, 2,6-diiodo-4-nitro-
  • Disophenol
  • DNP
  • Syngamix
  • Ancylol
  • Disofen
  • Iodofen
  • 4-Nitro-2,6-diiodophenol
  • Iodophen

Work with 2,6-Diiodo-4-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

2,6-Dimethyl-4-nitrophenol2423-71-461 % similar 2,6-Diiodo-4-nitrobenzenamine5398-27-661 % similar Picric acid88-89-160 % similar 2,6-Dichloro-4-nitrophenol618-80-456 % similar 2,6-Dibromo-4-nitrophenol99-28-556 % similar Dunnite131-74-855 % similar 2-Methyl-4,6-dinitrophenol534-52-154 % similar 1,3,5-Trinitrobenzene99-35-454 % similar

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

Elsewhere

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