4-Bromobenzofuran

C8H5BrOCAS 128868-60-0197.03 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)Health Hazard (GHS08)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
128868-60-0
SMILES
C1=CC2=C(C=CO2)C(=C1)Br
InChIKey
YFKGZOJEQUDHAD-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5H

Weigh it out

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

Names and synonyms

1 names
  • 4-Bromo-1-benzofuran

Work with 4-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

1,5-Dibromonaphthalene7351-74-848 % similar 4-Benzofurancarboxylic acid166599-84-444 % similar Chromone491-38-343 % similar 3-Bromochromone49619-82-142 % similar 1-Bromodibenzofuran50548-45-342 % similar 4-Bromodibenzo[b,d]furan89827-45-242 % similar Benzofuran271-89-641 % similar 1-Bromonaphthalene90-11-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromobenzofuran128851-73-0 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

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