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

C₈H₅BrO₂CAS 19477-73-7213.03 g/mol

Open in Covalent MOL file

Aryl halide Ester Lactone

Properties

Molecular formula: C₈H₅BrO₂
Molar mass: 213.03 g/mol
Exact mass: 211.9473 Da
logP: 2.12Crippen 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

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

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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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