chempirical

7-Bromo-4-chromanone

C9H7BrO2CAS 18442-22-3227.06 g/mol

Open in Covalent MOL file
OOBr
Aryl halideEtherKetone

Properties

Molecular formula
C9H7BrO2
Molar mass
227.06 g/mol
Exact mass
225.9629 Da
logP
2.41Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
18442-22-3
SMILES
C1COC2=C(C1=O)C=CC(=C2)Br
InChIKey
DMEAYYYHWLCPCD-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrO2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-2,5H,3-4H2

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Names and synonyms

1 names
  • 7-Bromo-3,4-dihydro-2H-1-benzopyran-4-one

Work with 7-Bromo-4-chromanone

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

7-Fluoro-4-chromanone113209-68-064 % similar Chromanone491-37-259 % similar 5-Bromo-1-indanone34598-49-756 % similar 6-Hydroxy-2H-benzofuran-3-one6272-26-051 % similar 6-Chloro-2,3-dihydro-4H-1-benzopyran-4-one37674-72-951 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-051 % similar 6-Bromo-1,4-benzodioxane52287-51-148 % similar 4-Bromophthalic anhydride86-90-843 % similar

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

Same formula

4-Bromocinnamic acid1200-07-3 (2E)-3-(3-Bromophenyl)-2-propenoic acid14473-91-7 3-(3-Bromophenyl)-2-propenoic acid32862-97-8 3-(2-Bromophenyl)-2-propenoic acid7499-56-1

Elsewhere

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