chempirical

2,2-Dibromo-2-nitroethanol

C2H3Br2NO3CAS 69094-18-4248.86 g/mol

Open in Covalent MOL file
ON+O−BrBrOH
AlcoholAlkyl halideNitro

Properties

Molecular formula
C2H3Br2NO3
Molar mass
248.86 g/mol
Exact mass
246.8480 Da
Melting point
30 °C
Boiling point
121 °C (at 19 Torr)
logP
0.70Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
69094-18-4
SMILES
O=[N+]([O-])C(Br)(Br)CO
InChIKey
FMNZAHDAULEOSO-UHFFFAOYSA-N
InChI
InChI=1S/C2H3Br2NO3/c3-2(4,1-6)5(7)8/h6H,1H2

Weigh it out

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

Names and synonyms

8 names
  • N 60 (Antimicrobial)
  • Dibnirol
  • DBNE 75
  • DBNE 75P
  • Ethanol, 2,2-dibromo-2-nitro-
  • 2,2-Dibromo-2-nitro-1-ethanol
  • Dibnirol A 75
  • N 60

Work with 2,2-Dibromo-2-nitroethanol

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

Bronopol52-51-762 % similar Tris(hydroxymethyl)nitromethane126-11-456 % similar 2-Methyl-2-nitro-1,3-propanediol77-49-650 % similar 2-Bromo-2-nitropropane5447-97-239 % similar Dmdnb3964-18-938 % similar Bronidox30007-47-738 % similar 2-Methyl-2-nitropropane594-70-733 % similar Chloropicrin76-06-233 % similar

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

Elsewhere

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