5-Bromo-2-hydroxybenzophenone

C₁₃H₉BrO₂CAS 55082-33-2277.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone Phenol

Properties

Molecular formula: C₁₃H₉BrO₂
Molar mass: 277.12 g/mol
Exact mass: 275.9786 Da
logP: 3.39Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

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

55082-33-2

SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O

InChIKey

IVIICRNXAGUXLR-UHFFFAOYSA-N

InChI

InChI=1S/C13H9BrO2/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8,15H

Weigh it out

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

Work with 5-Bromo-2-hydroxybenzophenone

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

4,6-Dibenzoylresorcinol3088-15-165 % similar 2-Hydroxy-5-methylbenzophenone1470-57-163 % similar 2-Amino-5-bromobenzophenone39859-36-463 % similar Benzophenone 785-19-863 % similar 2-Hydroxybenzophenone117-99-762 % similar 2,4-Dihydroxybenzophenone131-56-658 % similar 3-Bromobenzophenone1016-77-957 % similar 5-Bromosalicylic acid89-55-457 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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