chempirical

6-Bromo-3-formylchromone

C10H5BrO3CAS 52817-12-6253.05 g/mol

Open in Covalent MOL file
BrOOO
AldehydeAryl 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 Ų
H-bond donors / acceptors
0 / 3
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
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

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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-Bromo-4-oxo-4H-1-benzopyran-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

PubChem CAS Common Chemistry NIST WebBook