chempirical

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

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

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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

Chromone491-38-343 % similar 1-Bromodibenzofuran50548-45-342 % similar 1,4-Dibromonaphthalene83-53-440 % similar 4-Bromobenzo[B]thiophene5118-13-835 % similar 4-Bromoindole52488-36-535 % similar 5-Bromo-1(2H)-isoquinolinone190777-77-635 % similar 1,2-Dibromobenzene583-53-935 % similar 5-Bromoacenaphthene2051-98-133 % 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook