5-Chloro-benzofuran-3-one

C₈H₅ClO₂CAS 3261-05-0168.58 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₈H₅ClO₂
Molar mass: 168.58 g/mol
Exact mass: 167.9978 Da
logP: 1.92Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

3261-05-0

SMILES

C1C(=O)C2=C(O1)C=CC(=C2)Cl

InChIKey

QQCUCXUMVSGDJH-UHFFFAOYSA-N

InChI

InChI=1S/C8H5ClO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4H2

Weigh it out

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

Names and synonyms

1 names

5-Chloro-2,3-dihydro-1-benzofuran-3-one

Work with 5-Chloro-benzofuran-3-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

6-Chlorochroman-4-one37674-72-976 % similar Coumaranone7169-34-855 % similar 6-Chloro-2H-1,4-benzoxazin-3(4H)-one7652-29-151 % similar 6-Bromo-1-benzofuran-3(2H)-one201809-69-050 % similar Sodium (2,4-dichlorophenoxy)acetate2702-72-950 % similar 2-Bromo-1-(2,5-dichlorophenyl)ethanone4571-25-950 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-350 % similar 2,4-Dichlorophenoxyacetic acid94-75-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-benzofuran-3-one3260-78-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook