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

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

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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-Bromo-8-chlorodibenzo[b,d]furan2173554-83-963 % similar 1-Bromo-7-chlorodibenzo[b,d]furan2173555-52-563 % similar 1-Chlorodibenzofuran84761-86-459 % similar 1-Fluorodibenzo[B,D]furan182349-08-257 % similar 1-Dibenzofuranol33483-06-657 % similar 1-Dibenzofuranamine50548-40-857 % similar 1-Bromodibenzofuran-2-ol91267-95-755 % similar Dibenzofuran132-64-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromodibenzofuran26608-06-0 2-Bromodibenzofuran86-76-0 4-Bromodibenzo[b,d]furan89827-45-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook