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

C₈H₇BrCAS 1073-39-8183.05 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇Br
Molar mass: 183.05 g/mol
Exact mass: 181.9731 Da
logP: 2.55Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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

Weigh it out

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

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-1,2,3,4-tetrahydroisoquinoline226942-29-659 % similar 2,7-Dibromofluorene16433-88-854 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-953 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride220247-73-453 % similar 6-Bromo-2-tetralone4133-35-153 % similar 5-Bromo-2,3-dihydro-1-benzofuran66826-78-652 % similar 5-Bromoindoline22190-33-650 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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

Elsewhere

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