chempirical

1-(1-Benzofuran-2-yl)-2-bromoethan-1-one

C10H7BrO2CAS 23489-36-3239.07 g/mol

Open in Covalent MOL file
OOBr
Alkyl halideKetone

Properties

Molecular formula
C10H7BrO2
Molar mass
239.07 g/mol
Exact mass
237.9629 Da
logP
3.01Crippen estimate
Polar surface area
30.2 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
23489-36-3
SMILES
C1=CC=C2C(=C1)C=C(O2)C(=O)CBr
InChIKey
NVRNCBWTEDOAQA-UHFFFAOYSA-N
InChI
InChI=1S/C10H7BrO2/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5H,6H2

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Work with 1-(1-Benzofuran-2-yl)-2-bromoethan-1-one

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

3-(Bromoacetyl)coumarin29310-88-164 % similar 2-Benzofurancarboxylic acid496-41-358 % similar 2-Benzofurancarbonyl chloride41717-28-656 % similar 2-Acetylbenzofuran1646-26-054 % similar 2-Benzofurancarboxylic acid ethyl ester3199-61-950 % similar 2-(Bromoacetyl)naphthalene613-54-750 % similar 2-Bromo-1-(2-chlorophenyl)ethanone5000-66-847 % similar 5-(Bromoacetyl)-3-phenylisoxazole14731-14-747 % similar

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

Elsewhere

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