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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

Weigh it out

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-Dibromonaphthalene13720-06-450 % similar 6-Bromochromone51483-92-248 % similar 2,7-Dibromonaphthalene58556-75-548 % similar 2,6-Dibromoanthracene186517-01-146 % similar Benzofuran271-89-644 % similar 2,7-Dibromophenanthrene62325-30-844 % similar 2-Bromonaphthalene580-13-243 % similar 1-Benzofuran-6-carboxylic acid77095-51-343 % 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 5-Bromo-1-benzofuran23145-07-5 2-Bromo-1-benzofuran54008-77-4 3-Bromo-1-benzofuran59214-70-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook