3',5'-Dibromo-2'-hydroxyacetophenone

C8H6Br2O2CAS 22362-66-9293.94 g/mol

Open in Covalent MOL file
OBrBrHO
Aryl halideKetonePhenol

Properties

Molecular formula
C8H6Br2O2
Molar mass
293.94 g/mol
Exact mass
291.8735 Da
logP
3.12Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
22362-66-9
SMILES
CC(=O)C1=C(C(=CC(=C1)Br)Br)O
InChIKey
RCKHUOIKVIOMGZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Br2O2/c1-4(11)6-2-5(9)3-7(10)8(6)12/h2-3,12H,1H3

Weigh it out

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

Work with 3',5'-Dibromo-2'-hydroxyacetophenone

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'-Bromo-5'-chloro-2'-hydroxyacetophenone59443-15-166 % similar 3,5-Dibromosalicylic acid3147-55-565 % similar 5′-Bromo-2′-hydroxyacetophenone1450-75-560 % similar 5'-Bromo-2'-hydroxy-3'-nitroacetophenone70978-54-060 % similar Methyl 3,5-dibromosalicylate21702-79-459 % similar 1-(3-Bromo-2-hydroxyphenyl)ethanone1836-05-159 % similar 1-(4-Bromo-2-hydroxyphenyl)ethan-1-one30186-18-656 % similar 2,4,6-Tribromophenol118-79-655 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,5-Dibromophenylacetic acid203314-28-7 3′,5′-Dibromo-4′-hydroxyacetophenone2887-72-1 Methyl 3,5-dibromobenzoate51329-15-8 Methyl 2,5-dibromobenzoate57381-43-8 3,5-Dibromo-4-methylbenzoic acid67973-32-4

Elsewhere

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