chempirical

2-Bromo-1-benzofuran

C8H5BrOCAS 54008-77-4197.03 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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
54008-77-4
SMILES
C1=CC=C2C(=C1)C=C(O2)Br
InChIKey
RNEOFIVNTNLSEH-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h1-5H

Weigh it out

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

Work with 2-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

2-Ethylbenzofuran3131-63-345 % similar 2-Benzofurancarboxaldehyde4265-16-145 % similar 2-Benzofuranmethanol55038-01-245 % similar 3-Aminocoumarin1635-31-042 % similar 2-Benzofurancarbonyl chloride41717-28-642 % similar 3-Hydroxycoumarin939-19-542 % similar 1-(1-Benzofuran-2-yl)-2-bromoethan-1-one23489-36-342 % similar 2-Acetylbenzofuran1646-26-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

6-Bromobenzofuran128851-73-0 4-Bromobenzofuran128868-60-0 7-Bromo-1-benzofuran133720-60-2 5-Bromo-1-benzofuran23145-07-5 3-Bromo-1-benzofuran59214-70-9

Elsewhere

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