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

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6-Bromo-1-benzofuran-3(2H)-one201809-69-077 % similar 7-Fluoro-4-chromanone113209-68-064 % similar Chromanone491-37-259 % similar 5-Bromo-1-indanone34598-49-756 % similar 6-Bromo-1-tetralone66361-67-953 % similar 6-Bromoindanone14548-39-151 % similar 6-Hydroxy-2H-benzofuran-3-one6272-26-051 % similar 6-Chlorochroman-4-one37674-72-951 % 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 3-(3-Bromophenyl)-2-propenoic acid32862-97-8 6-Bromo-2,3-dihydro-4H-chromen-4-one49660-57-3 2-Bromocinnamic acid7345-79-1 3-(2-Bromophenyl)-2-propenoic acid7499-56-1

Elsewhere

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