chempirical

6-Bromo-1,4-benzodioxane

C8H7BrO2CAS 52287-51-1215.05 g/mol

Open in Covalent MOL file
BrOO
Aryl halideEther

Properties

Molecular formula
C8H7BrO2
Molar mass
215.05 g/mol
Exact mass
213.9629 Da
Boiling point
153–154 °C (at 23 Torr)
logP
2.22Crippen estimate
Polar surface area
18.5 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
52287-51-1
SMILES
Brc1ccc2c(c1)OCCO2
InChIKey
LFCURAJBHDNUNG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2

Weigh it out

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Names and synonyms

6 names
  • 1,4-Benzodioxin, 6-bromo-2,3-dihydro-
  • 6-Bromo-2,3-dihydro-1,4-benzodioxin
  • 6-Bromo-1,4-benzodioxan
  • 3,4-Ethylenedioxybromobenzene
  • 4-Bromo-1,2-ethylenedioxybenzene
  • 6-Bromo-2,3-dihydrobenzo[b][1,4]dioxine

Work with 6-Bromo-1,4-benzodioxane

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

5-Bromo-1,3-benzodioxole2635-13-478 % similar 4-Bromo-1-methoxy-2-(3-methoxypropoxy)benzene173336-76-055 % similar 6-Bromo-3,4-dihydro-2H-benzo[1,4]oxazine105655-01-453 % similar 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine105679-22-953 % similar 1,4-Benzodioxan-6-amine22013-33-852 % similar Bromoveratrole2859-78-152 % similar 2,3-Dihydro-1,4-benzodioxin-6-methanamine17413-10-448 % similar Benzodioxan493-09-448 % similar

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

Same formula

5′-Bromo-2′-hydroxyacetophenone1450-75-5 2-Bromophenylacetic acid18698-97-0 3-Bromophenylacetic acid1878-67-7 4-Bromophenylacetic acid1878-68-8 2-Bromo-1-(2-hydroxyphenyl)ethanone2491-36-3 2-Bromo-1-(3-hydroxyphenyl)ethanone2491-37-4 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-5 5-Bromo-2-methoxybenzaldehyde25016-01-7

Elsewhere

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