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

C₁₀H₇BrO₂CAS 23489-36-3239.07 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₇BrO₂
Molar mass: 239.07 g/mol
Exact mass: 237.9629 Da
logP: 3.01Crippen estimate
Polar surface area: 30.2 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H314 Causes severe skin burns and eye damage100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook