7-Bromobenzo[1,3]dioxole-5-carbaldehyde

C₈H₅BrO₃CAS 19522-96-4229.03 g/mol

Open in Covalent MOL file

Acetal Aldehyde Aryl halide Ether

Properties

Molecular formula: C₈H₅BrO₃
Molar mass: 229.03 g/mol
Exact mass: 227.9422 Da
logP: 1.99Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

19522-96-4

SMILES

C1OC2=C(O1)C(=CC(=C2)C=O)Br

InChIKey

LFWAGNRBILVLBC-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrO3/c9-6-1-5(3-10)2-7-8(6)12-4-11-7/h1-3H,4H2

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

Names and synonyms

1 names

7-Bromo-1,3-dioxaindane-5-carbaldehyde

Work with 7-Bromobenzo[1,3]dioxole-5-carbaldehyde

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

Myristicinaldehyde5780-07-461 % similar 3-Bromo-4,5-dimethoxybenzaldehyde6948-30-757 % similar Piperonal120-57-051 % similar 3-Bromo-5-ethoxy-4-hydroxybenzaldehyde3111-37-350 % similar 5-Bromovanillin2973-76-446 % similar 3,5-Dibromo-4-hydroxybenzaldehyde2973-77-546 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-843 % similar 3-Bromo-4-methoxybenzaldehyde34841-06-043 % similar

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

Same formula

6-Bromo-1,3-benzodioxole-5-carboxaldehyde15930-53-7

Elsewhere

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