chempirical

3-Bromobicyclo[4.2.0]octa-1,3,5-triene

C8H7BrCAS 1073-39-8183.05 g/mol

Open in Covalent MOL file
Br
Aryl halide

Properties

Molecular formula
C8H7Br
Molar mass
183.05 g/mol
Exact mass
181.9731 Da
logP
2.55Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
1073-39-8
SMILES
C1CC2=C1C=CC(=C2)Br
InChIKey
GMHHTGYHERDNLO-UHFFFAOYSA-N
InChI
InChI=1S/C8H7Br/c9-8-4-3-6-1-2-7(6)5-8/h3-5H,1-2H2

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Names and synonyms

1 names
  • 4-Bromobenzocyclobutene

Work with 3-Bromobicyclo[4.2.0]octa-1,3,5-triene

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

7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-659 % similar 6-Bromo-2-tetralone4133-35-153 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-348 % similar 2,4-Dibromobenzenemethanol666747-06-446 % similar 5-Bromo-1-indanone34598-49-745 % similar 2-Bromofluorene1133-80-845 % similar 5-Bromo-2-hydroxybenzyl alcohol2316-64-545 % similar 4-Bromo-2-fluorobenzyl bromide76283-09-545 % similar

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

Same formula

β-Bromostyrene103-64-0 4-Bromostyrene2039-82-9 3-Bromostyrene2039-86-3 2-Bromostyrene2039-88-5

Elsewhere

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