chempirical

Bronidox

C4H6BrNO4CAS 30007-47-7212.00 g/mol

Open in Covalent MOL file
ON+O−BrOO
AcetalAlkyl halideEtherNitro

Properties

Molecular formula
C4H6BrNO4
Molar mass
212.00 g/mol
Exact mass
210.9480 Da
Melting point
59 °C
logP
0.36Crippen estimate
Polar surface area
61.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
30007-47-7
SMILES
O=[N+]([O-])C1(Br)COCOC1
InChIKey
XVBRCOKDZVQYAY-UHFFFAOYSA-N
InChI
InChI=1S/C4H6BrNO4/c5-4(6(7)8)1-9-3-10-2-4/h1-3H2

Weigh it out

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

Names and synonyms

5 names
  • 1,3-Dioxane, 5-bromo-5-nitro-
  • m-Dioxane, 5-bromo-5-nitro-
  • 5-Bromo-5-nitro-1,3-dioxane
  • Bronidox L
  • Microcide I

Work with Bronidox

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

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia