3-Bromocyclohexene

C₆H₉BrCAS 1521-51-3161.04 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₆H₉Br
Molar mass: 161.04 g/mol
Exact mass: 159.9888 Da
logP: 2.49Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1521-51-3

SMILES

C1CC=CC(C1)Br

InChIKey

AJKDUJRRWLQXHM-UHFFFAOYSA-N

InChI

InChI=1S/C6H9Br/c7-6-4-2-1-3-5-6/h2,4,6H,1,3,5H2

Weigh it out

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

Work with 3-Bromocyclohexene

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-Cyclohexen-1-ol822-67-348 % similar 3-Methylcyclohexene591-48-042 % similar Cyclohexene110-83-832 % similar Cyclopentene142-29-032 % similar Cyclododecene1501-82-230 % similar Cycloheptene628-92-230 % similar Cyclooctene931-87-330 % similar Cyclooctene931-88-430 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook