6-Bromo-3-formylchromone

C₁₀H₅BrO₃CAS 52817-12-6253.05 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₁₀H₅BrO₃
Molar mass: 253.05 g/mol
Exact mass: 251.9422 Da
logP: 2.37Crippen estimate
Polar surface area: 47.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

52817-12-6

SMILES

C1=CC2=C(C=C1Br)C(=O)C(=CO2)C=O

InChIKey

PCEZXSJBHMOQFT-UHFFFAOYSA-N

InChI

InChI=1S/C10H5BrO3/c11-7-1-2-9-8(3-7)10(13)6(4-12)5-14-9/h1-5H

Weigh it out

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

Work with 6-Bromo-3-formylchromone

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

3-Formyl-6-methylchromone42059-81-465 % similar 6-Chloro-3-formylchromone42248-31-765 % similar 6-Fluoro-3-formylchromone69155-76-665 % similar 3-Formylchromone17422-74-161 % similar 6-Ethyl-3-formylchromone42059-78-960 % similar 3-Formyl-6-isopropylchromone49619-58-160 % similar 6-Bromochromone-3-carbonitrile52817-13-756 % similar 2-Amino-6-bromo-3-formylchromone73262-04-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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