6-Bromo-1-benzofuran-3(2H)-one

C₈H₅BrO₂CAS 201809-69-0213.03 g/mol

Open in Covalent MOL file

Aryl halide Ether Ketone

Properties

Molecular formula: C₈H₅BrO₂
Molar mass: 213.03 g/mol
Exact mass: 211.9473 Da
logP: 2.02Crippen estimate
Polar surface area: 26.3 Å²
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. Search the SDS library

Identifiers

CAS number

201809-69-0

SMILES

C1C(=O)C2=C(O1)C=C(C=C2)Br

InChIKey

CJEHZCSKQCWMJL-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrO2/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

3(2H)-Benzofuranone, 6-bromo-

Work with 6-Bromo-1-benzofuran-3(2H)-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

7-Bromo-4-chromanone18442-22-377 % similar 6-Hydroxy-2H-benzofuran-3-one6272-26-066 % similar 6-Chloro-benzofuran-3-one3260-78-464 % similar Coumaranone7169-34-858 % similar 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-357 % similar 5-Bromo-1-indanone34598-49-751 % similar 5-Chloro-benzofuran-3-one3261-05-050 % similar 6-Bromo-1-tetralone66361-67-949 % similar

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

Same formula

5-Bromoisophthalaldehyde120173-41-3 6-Bromo-3 H-isobenzofuran-1-one19477-73-7 5-Bromophthalide64169-34-2 3-Bromophthalide6940-49-4 2-Bromobenzene-1,3-dialdehyde79839-49-9

Elsewhere

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