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

C8H5BrO2CAS 201809-69-0213.03 g/mol

Open in Covalent MOL file
OOBr
Aryl halideEtherKetone

Properties

Molecular formula
C8H5BrO2
Molar mass
213.03 g/mol
Exact mass
211.9473 Da
logP
2.02Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 30 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
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

Weigh it out

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

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

PubChem CAS Common Chemistry NIST WebBook