chempirical

6-Bromobenzofuran

C8H5BrOCAS 128851-73-0197.03 g/mol

Open in Covalent MOL file
OBr
Aryl halide

Properties

Molecular formula
C8H5BrO
Molar mass
197.03 g/mol
Exact mass
195.9524 Da
logP
3.20Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
128851-73-0
SMILES
C1=CC(=CC2=C1C=CO2)Br
InChIKey
BBXQYOQXGGJUFK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H

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

Names and synonyms

1 names
  • 6-Bromo-1-benzofuran

Work with 6-Bromobenzofuran

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-Dibromoanthracene186517-01-146 % similar 5-Benzofuranol13196-10-642 % similar 2,8-Dibromodibenzofuran10016-52-141 % similar Psoralen66-97-741 % similar 3-Bromonaphtho[2,3-b]benzofuran1256544-32-740 % similar 5-Bromo-benzooxazole132244-31-639 % similar 2-Bromo-7-hydroxynaphthalene116230-30-939 % similar 6-Bromobenzo[B]thiophene17347-32-938 % similar

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

Same formula

4-Bromobenzofuran128868-60-0 7-Bromo-1-benzofuran133720-60-2

Elsewhere

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