chempirical

1-Bromodibenzofuran

C12H7BrOCAS 50548-45-3247.09 g/mol

Open in Covalent MOL file
BrO
Aryl halide

Properties

Molecular formula
C12H7BrO
Molar mass
247.09 g/mol
Exact mass
245.9680 Da
Melting point
67 °C
logP
4.35Crippen estimate
Polar surface area
13.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
50548-45-3
SMILES
Brc1cccc2oc3ccccc3c12
InChIKey
WUYYVOWEBMOELQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H7BrO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H

Weigh it out

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

Names and synonyms

2 names
  • Dibenzofuran, 1-bromo-
  • 1-Bromodibenzo[b,d]furan

Work with 1-Bromodibenzofuran

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

1-Chlorodibenzofuran84761-86-459 % similar 1-Dibenzofuranamine50548-40-857 % similar Dibenzofuran132-64-954 % similar B-1-Dibenzofuranylboronic acid162607-19-452 % similar 1,4-Dibromonaphthalene83-53-442 % similar 4-Bromobenzofuran128868-60-042 % similar 4-Bromo-9-phenyl-9H-carbazole1097884-37-139 % similar 3-Dibenzofuranamine4106-66-538 % similar

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

Same formula

2-Bromodibenzofuran86-76-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook