6-Bromo-3 H-isobenzofuran-1-one

C8H5BrO2CAS 19477-73-7213.03 g/mol

Open in Covalent MOL file
BrOO
Aryl halideEsterLactone

Properties

Molecular formula
C8H5BrO2
Molar mass
213.03 g/mol
Exact mass
211.9473 Da
logP
2.12Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
19477-73-7
SMILES
C1C2=C(C=C(C=C2)Br)C(=O)O1
InChIKey
BELKVKMBIAENSA-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3H,4H2

Weigh it out

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Names and synonyms

1 names
  • 6-Bromo-1,3-dihydro-2-benzofuran-1-one

Work with 6-Bromo-3 H-isobenzofuran-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

6-Aminophthalide57319-65-060 % similar Phthalide87-41-255 % similar 4-Bromophthalic anhydride86-90-853 % similar 6-Nitrophthalide610-93-553 % similar 5-Hydroxyphthalide55104-35-351 % similar Ethyl 5-bromo-2-chlorobenzoate76008-73-651 % similar 6-Bromoindanone14548-39-149 % similar 2,6-Dibromoanthraquinone633-70-548 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromoisophthalaldehyde120173-41-3 6-Bromo-1-benzofuran-3(2H)-one201809-69-0 5-Bromophthalide64169-34-2 3-Bromophthalide6940-49-4 2-Bromobenzene-1,3-dialdehyde79839-49-9

Elsewhere

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