2-Bromobenzophenone

C₁₃H₉BrOCAS 13047-06-8261.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₉BrO
Molar mass: 261.12 g/mol
Exact mass: 259.9837 Da
logP: 3.68Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

H411 Toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

13047-06-8

SMILES

C1=CC=C(C=C1)C(=O)C2=CC=CC=C2Br

InChIKey

ABEVIHIQUUXDMS-UHFFFAOYSA-N

InChI

InChI=1S/C13H9BrO/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Work with 2-Bromobenzophenone

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

1,2-Dibenzoylbenzene1159-86-071 % similar Benzophenone119-61-958 % similar 2-Hydroxybenzophenone117-99-757 % similar 2-Methylbenzophenone131-58-857 % similar 2-Iodobenzophenone25187-00-257 % similar 2-Aminobenzophenone2835-77-057 % similar 2-Fluorobenzophenone342-24-557 % similar 2-Chlorobenzophenone5162-03-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromobenzophenone1016-77-9 4-Bromobenzophenone90-90-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook