chempirical

4,4′-Dibromobenzophenone

C13H8Br2OCAS 3988-03-2340.01 g/mol

Open in Covalent MOL file
OBrBr
Aryl halideKetone

Properties

Molecular formula
C13H8Br2O
Molar mass
340.01 g/mol
Exact mass
337.8942 Da
Melting point
177 °C
Boiling point
395 °C
logP
4.44Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
3988-03-2
SMILES
O=C(c1ccc(Br)cc1)c1ccc(Br)cc1
InChIKey
LFABNOYDEODDFX-UHFFFAOYSA-N
InChI
InChI=1S/C13H8Br2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8H

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

Names and synonyms

7 names
  • Methanone, bis(4-bromophenyl)-
  • Benzophenone, 4,4′-dibromo-
  • Bis(4-bromophenyl)methanone
  • p,p′-Dibromobenzophenone
  • Bis(p-bromophenyl) ketone
  • Bis(4-bromophenyl) ketone
  • NSC 86518

Work with 4,4′-Dibromobenzophenone

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-Bromobenzophenone90-90-482 % similar 4,4′-Dibromobenzil35578-47-364 % similar 4-Bromobenzamide698-67-958 % similar 2-Amino-4'-bromobenzophenone1140-17-657 % similar 4,4'-Dihydroxybenzophenone611-99-457 % similar 4-Bromobenzoyl chloride586-75-456 % similar 4-Bromobenzoic acid586-76-556 % similar 3-Bromobenzophenone1016-77-956 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook