4-Chloro-6-fluoro-2H-1-benzopyran-3-carbaldehyde

C₁₀H₆ClFO₂CAS 105799-69-7212.60 g/mol

Open in Covalent MOL file

Aldehyde Alkene Aryl halide Ether Vinyl halide

Properties

Molecular formula: C₁₀H₆ClFO₂
Molar mass: 212.60 g/mol
Exact mass: 212.0040 Da
logP: 2.37Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

105799-69-7

SMILES

C1C(=C(C2=C(O1)C=CC(=C2)F)Cl)C=O

InChIKey

RBLLNXBYFXPIPW-UHFFFAOYSA-N

InChI

InChI=1S/C10H6ClFO2/c11-10-6(4-13)5-14-9-2-1-7(12)3-8(9)10/h1-4H,5H2

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Names and synonyms

1 names

4-Chloro-6-fluoro-2H-benzopyran-3-carboxaldehyde

Work with 4-Chloro-6-fluoro-2H-1-benzopyran-3-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

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

Elsewhere

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