2,6-Dibromo-4-nitrophenol

C₆H₃Br₂NO₃CAS 99-28-5296.90 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₃Br₂NO₃
Molar mass: 296.90 g/mol
Exact mass: 294.8480 Da
Melting point: 145 °C (decomposes)
logP: 2.83Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

99-28-5

SMILES

O=[N+]([O-])c1cc(Br)c(O)c(Br)c1

InChIKey

WBHYZUAQCSHXCT-UHFFFAOYSA-N

InChI

InChI=1S/C6H3Br2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

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Names and synonyms

4 names

Phenol, 2,6-dibromo-4-nitro-
4-Nitro-2,6-dibromophenol
3,5-Dibromo-4-hydroxynitrobenzene
NSC 2585

Reactions

2,6-DIBROMO-4-NITROPHENOL (Phenol, 2,6-dibromo-4-nitro-)product

Work with 2,6-Dibromo-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-Bromo-4-nitrophenol5847-59-666 % similar 2,6-Dibromo-4-nitroaniline827-94-161 % similar Picric acid88-89-160 % similar 3-Bromo-5-nitro-2(1H)-pyridinone15862-33-657 % similar 2,6-Dimethyl-4-nitrophenol2423-71-456 % similar 2,6-Diiodo-4-nitrophenol305-85-156 % similar 2,6-Dichloro-4-nitrophenol618-80-456 % similar Dunnite131-74-855 % similar

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

Elsewhere

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