6-Chloro-benzofuran-3-one

C8H5ClO2CAS 3260-78-4168.58 g/mol

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OOCl
Aryl halideEtherKetone

Properties

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

Hazards

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

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Identifiers

CAS number
3260-78-4
SMILES
C1C(=O)C2=C(O1)C=C(C=C2)Cl
InChIKey
QSYZLDHZMYWEKL-UHFFFAOYSA-N
InChI
InChI=1S/C8H5ClO2/c9-5-1-2-6-7(10)4-11-8(6)3-5/h1-3H,4H2

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Names and synonyms

1 names
  • 6-Chloro-3-benzofuranone

Work with 6-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-Bromo-1-benzofuran-3(2H)-one201809-69-064 % similar 6-Hydroxy-2H-benzofuran-3-one6272-26-062 % similar 6-Chlorochroman-4-one37674-72-957 % similar Coumaranone7169-34-855 % similar 2-Bromo-2',4'-dichloroacetophenone170894-53-850 % similar 7-Bromo-4-chromanone18442-22-350 % similar 2,4-Dichlorophenacyl bromide2631-72-350 % similar 5-Chloro-1-indanone42348-86-749 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-benzofuran-3-one3261-05-0

Elsewhere

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