chempirical

4-Bromobenzophenone

C13H9BrOCAS 90-90-4261.12 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
Melting point
82.5 °C
Boiling point
350 °C
logP
3.68Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
90-90-4
SMILES
O=C(c1ccccc1)c1ccc(Br)cc1
InChIKey
KEOLYBMGRQYQTN-UHFFFAOYSA-N
InChI
InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H

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

Names and synonyms

10 names
  • Methanone, (4-bromophenyl)phenyl-
  • Benzophenone, 4-bromo-
  • (4-Bromophenyl)phenylmethanone
  • p-Bromobenzophenone
  • 4-Bromophenyl phenyl ketone
  • p-Benzoylbromobenzene
  • 1-Benzoyl-4-bromobenzene
  • Phenyl(4-bromophenyl)methanone
  • NSC 59863
  • 4-(Phenylcarbonyl)-1-bromobenzene

Work with 4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4′-Dibromobenzophenone3988-03-282 % similar 1,4-Dibenzoylbenzene3016-97-573 % similar 4-Hydroxybenzophenone1137-42-463 % similar 4-Phenylbenzophenone2128-93-062 % similar 2-Amino-4'-bromobenzophenone1140-17-659 % similar 1,3-Dibenzoylbenzene3770-82-958 % similar 4-Aminobenzophenone1137-41-357 % similar 4-Methylbenzophenone134-84-957 % similar

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

Same formula

3-Bromobenzophenone1016-77-9 2-Bromobenzophenone13047-06-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook