chempirical

1-(2-Bromoethyl)-2-chlorobenzene

C8H8BrClCAS 16793-91-2219.51 g/mol

Open in Covalent MOL file
ClBr
Alkyl halideAryl halide

Properties

Molecular formula
C8H8BrCl
Molar mass
219.51 g/mol
Exact mass
217.9498 Da
logP
3.28Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
16793-91-2
SMILES
Clc1ccccc1CCBr
InChIKey
AECBVDLERUETKG-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BrCl/c9-6-5-7-3-1-2-4-8(7)10/h1-4H,5-6H2

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Names and synonyms

5 names
  • Benzene, 1-(2-bromoethyl)-2-chloro-
  • o-Chlorophenethyl bromide
  • 2-Chlorophenethyl bromide
  • 2-(2-Chlorophenyl)ethyl bromide
  • 2-(2-Bromoethyl)chlorobenzene

Work with 1-(2-Bromoethyl)-2-chlorobenzene

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

2-Chlorobenzyl bromide611-17-662 % similar 2-(2-Chlorophenyl)ethylamine13078-80-357 % similar 2-Chlorobenzeneethanol19819-95-557 % similar 2-Chlorobenzyl alcohol17849-38-650 % similar 2-Chlorobenzyl mercaptan39718-00-850 % similar 2-Chlorobenzylamine89-97-450 % similar (2-Chlorophenyl)acetonitrile2856-63-547 % similar 2-Phenylethyl bromide103-63-946 % similar

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

Same formula

1-(2-Bromoethyl)-4-chlorobenzene6529-53-9

Elsewhere

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