7-Bromo-1-benzofuran

C8H5BrOCAS 133720-60-2197.03 g/mol

Open in Covalent MOL file
BrO
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 the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
133720-60-2
SMILES
C1=CC2=C(C(=C1)Br)OC=C2
InChIKey
GPZPQJITKRSVQJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H

Weigh it out

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

Names and synonyms

1 names
  • 7-Bromobenzo[B]furan

Work with 7-Bromo-1-benzofuran

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

4,6-Dibromodibenzofuran201138-91-244 % similar Benzofuran-7-carboxylic acid90484-22-344 % similar 1,8-Dibromonaphtalene17135-74-944 % similar Benzofuran271-89-641 % similar 1-Bromonaphthalene90-11-941 % similar 8-Bromoquinoline16567-18-340 % similar 2,3-Dibromonaphthalene13214-70-538 % similar 5-Bromoisoquinoline34784-04-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromobenzofuran128851-73-0 4-Bromobenzofuran128868-60-0 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