chempirical

2-Bromobenzophenone

C13H9BrOCAS 13047-06-8261.12 g/mol

Open in Covalent MOL file
OBr
Aryl halideKetone

Properties

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

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 2-Hydroxybenzophenone117-99-757 % similar 2-Methylbenzophenone131-58-857 % similar 2-Fluorobenzophenone342-24-557 % similar 2-Chlorobenzophenone5162-03-857 % similar 1,4-Dibenzoylbenzene3016-97-556 % similar 1-Benzoylnaphthalene642-29-555 % similar 2-Benzoylbenzoic acid85-52-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

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

Elsewhere

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