7-Bromo-2,3-dihydrothieno[3,4-B][1,4]dioxine-5-carboxaldehyde 97

C₇H₅BrO₃SCAS 852054-42-3249.08 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide Ether

Properties

Molecular formula: C₇H₅BrO₃S
Molar mass: 249.08 g/mol
Exact mass: 247.9143 Da
logP: 2.09Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 1

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

852054-42-3

SMILES

C1COC2=C(SC(=C2O1)C=O)Br

InChIKey

YEKBJVHBVICUOZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H5BrO3S/c8-7-6-5(4(3-9)12-7)10-1-2-11-6/h3H,1-2H2

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Names and synonyms

1 names

7-Bromo-2,3-dihydrothieno(3,4-b)(1,4)dioxine-5-carbaldehyde

Work with 7-Bromo-2,3-dihydrothieno[3,4-B][1,4]dioxine-5-carboxaldehyde 97

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

2,5-Dibromo-3,4-ethylenedioxythiophene174508-31-759 % similar 2,3-Dihydrothieno(3,4-b)(1,4)dioxine-5-carbaldehyde204905-77-149 % similar 4,5-Dibromothiophene-2-carboxaldehyde38071-22-632 % similar 1,4-Benzodioxan-6-carboxaldehyde29668-44-832 % similar

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

Elsewhere

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