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

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-043 % similar 2,5-Difluorobenzoyl chloride35730-09-738 % similar 2,4-Difluorobenzoyl chloride72482-64-538 % similar 2-Chloro-5-fluorobenzoyl chloride21900-51-637 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-236 % similar 5-Fluoro-2-methylbenzoyl chloride21900-39-036 % similar 7-Fluoro-4-chromanone113209-68-035 % similar 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-635 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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