4-Bromo-4'-chlorobenzophenone

C₁₃H₈BrClOCAS 27428-57-5295.56 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₃H₈BrClO
Molar mass: 295.56 g/mol
Exact mass: 293.9447 Da
logP: 4.33Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

27428-57-5

SMILES

C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)Br)Cl

InChIKey

FYMCXGILCMIOKD-UHFFFAOYSA-N

InChI

InChI=1S/C13H8BrClO/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

Weigh it out

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

Names and synonyms

1 names

(4-Bromophenyl)(4-chlorophenyl)methanone

Work with 4-Bromo-4'-chlorobenzophenone

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

4,4′-Dibromobenzophenone3988-03-275 % similar 4,4′-Dichlorobenzophenone90-98-275 % similar 4-Chloro-4′-hydroxybenzophenone42019-78-366 % similar 4-Chlorobenzophenone134-85-064 % similar 4-Bromobenzophenone90-90-464 % similar 1-Bromo-4-chlorobenzene106-39-863 % similar 4-(4'-Chlorobenzoyl)pyridine14548-48-260 % similar 4-Benzoyl-4'-bromobiphenyl63242-14-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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