6-Bromo-1,3-benzodioxole-5-carboxaldehyde

C₈H₅BrO₃CAS 15930-53-7229.03 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
Melting point: 129 °C
logP: 1.99Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

15930-53-7

SMILES

O=Cc1cc2c(cc1Br)OCO2

InChIKey

CSQUXTSIDQURDV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

1,3-Benzodioxole-5-carboxaldehyde, 6-bromo-
Piperonal, 6-bromo-
2-Bromo-4,5-(methylenedioxy)benzaldehyde
6-Bromopiperonal
6-Bromo-3,4-(methylenedioxy)benzaldehyde
NSC 15639
6-Bromobenzodioxole-5-carboxaldehyde
6-Bromo-1,3-benzodioxol-5-carboxaldehyde
6-Bromobenzo[d][1,3]dioxole-5-carboxaldehyde
6-Bromo-3,4-methylenedioxybenzenecarboxaldehyde

Work with 6-Bromo-1,3-benzodioxole-5-carboxaldehyde

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-Bromoveratraldehyde5392-10-963 % similar 2-Bromo-5-hydroxy-4-methoxybenzaldehyde2973-59-350 % similar 6-Nitro-1,3-benzodioxole-5-carboxaldehyde712-97-050 % similar Piperonal120-57-047 % similar Benzodioxole-4-carboxaldehyde7797-83-344 % similar 2-Bromo-4-hydroxybenzaldehyde22532-60-142 % similar 2-Bromo-5-hydroxybenzaldehyde2973-80-042 % similar 2-Bromo-4-fluorobenzaldehyde59142-68-642 % similar

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

Elsewhere

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