chempirical

1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]

C16H12Br2O2CAS 4072-67-7396.08 g/mol

Open in Covalent MOL file
OBrOBr
Alkyl halideKetone

Properties

Molecular formula
C16H12Br2O2
Molar mass
396.08 g/mol
Exact mass
393.9204 Da
Melting point
226–227 °C
logP
4.51Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
5

Identifiers

CAS number
4072-67-7
SMILES
O=C(CBr)c1ccc(-c2ccc(C(=O)CBr)cc2)cc1
InChIKey
RTSLQVZQORGDQQ-UHFFFAOYSA-N
InChI
InChI=1S/C16H12Br2O2/c17-9-15(19)13-5-1-11(2-6-13)12-3-7-14(8-4-12)16(20)10-18/h1-8H,9-10H2

Weigh it out

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

Names and synonyms

9 names
  • Ethanone, 1,1′-[1,1′-biphenyl]-4,4′-diylbis[2-bromo-
  • 4′,4′′′-Biacetophenone, 2,2′′-dibromo-
  • p,p′-Bis(bromoacetyl)biphenyl
  • α,α′-Dibromo-4,4′-biacetophenone
  • 4,4′-Bis(bromoacetyl)biphenyl
  • NSC 619613
  • 4,4′-Bis(2-bromoacetyl)biphenyl
  • 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethan-1-one]
  • 2-Bromo-1-[4-[4-(2-bromoacetyl)phenyl]phenyl]ethanone

Work with 1,1′-[1,1′-Biphenyl]-4,4′-diylbis[2-bromoethanone]

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-[1,1′-Biphenyl]-4-yl-2-bromoethanone135-73-984 % similar 4-Bromophenacyl bromide99-73-069 % similar 2-Bromo-1-(4-hydroxyphenyl)ethanone2491-38-567 % similar 4-Fluorophenacyl bromide403-29-267 % similar 2′-Bromo-4-chloroacetophenone536-38-967 % similar 4-Methylphenacyl bromide619-41-067 % similar 4-Cyanophenacyl bromide20099-89-260 % similar 4-Methoxyphenacyl bromide2632-13-560 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook