6-Bromo-2,3-dihydro-4H-chromen-4-one

C9H7BrO2CAS 49660-57-3227.06 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
49660-57-3
SMILES
C1COC2=C(C1=O)C=C(C=C2)Br
InChIKey
PFLPVOXSUCCZDH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BrO2/c10-6-1-2-9-7(5-6)8(11)3-4-12-9/h1-2,5H,3-4H2

Weigh it out

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

Names and synonyms

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

Work with 6-Bromo-2,3-dihydro-4H-chromen-4-one

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-Chlorochroman-4-one37674-72-964 % similar 6-Methyl-4-chromanone39513-75-264 % similar 6-Fluoro-2,3-dihydro-4H-1-benzopyran-4-one66892-34-064 % similar 6-Methoxy-4-chromanone5802-17-561 % similar Chromanone491-37-259 % similar 6-Bromo-1-benzofuran-3(2H)-one201809-69-057 % similar 6-Nitrochroman-4-one68043-53-856 % similar 6-Bromoindanone14548-39-156 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromocinnamic acid1200-07-3 m-Bromocinnamic acid14473-91-7 7-Bromo-4-chromanone18442-22-3 3-(3-Bromophenyl)-2-propenoic acid32862-97-8 2-Bromocinnamic acid7345-79-1 3-(2-Bromophenyl)-2-propenoic acid7499-56-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook