6,8-Dichloro-4-oxo-4H-1-benzopyran-3-carboxaldehyde

C₁₀H₄Cl₂O₃CAS 64481-10-3243.04 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₀H₄Cl₂O₃
Molar mass: 243.04 g/mol
Exact mass: 241.9537 Da
Melting point: 170–171 °C
logP: 2.91Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

64481-10-3

SMILES

O=Cc1coc2c(Cl)cc(Cl)cc2c1=O

InChIKey

IHCCHRKNCOFDAJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H4Cl2O3/c11-6-1-7-9(14)5(3-13)4-15-10(7)8(12)2-6/h1-4H

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Names and synonyms

2 names

4H-1-Benzopyran-3-carboxaldehyde, 6,8-dichloro-4-oxo-
6,8-Dichloro-3-formylchromone

Work with 6,8-Dichloro-4-oxo-4H-1-benzopyran-3-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

2,3,5-Trichlorobenzaldehyde56961-75-245 % similar 3-Formylchromone17422-74-144 % similar 3,5-Dichlorosalicylaldehyde90-60-843 % similar 2,4-Dichlorobenzaldehyde874-42-043 % similar 2,5-Dichlorobenzaldehyde6361-23-539 % similar 2-Chlorobenzaldehyde89-98-535 % similar 2,3-Dichlorobenzaldehyde6334-18-533 % similar 3-Bromo-5-chlorosalicylaldehyde19652-32-532 % similar

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

Elsewhere

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