5-Chloro-2-adamantanone

C₁₀H₁₃ClOCAS 20098-17-3184.66 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₁₃ClO
Molar mass: 184.66 g/mol
Exact mass: 184.0655 Da
logP: 2.37Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20098-17-3

SMILES

C1C2CC3CC(C2)(CC1C3=O)Cl

InChIKey

JPEOUSFBWXVGFX-UHFFFAOYSA-N

InChI

InChI=1S/C10H13ClO/c11-10-3-6-1-7(4-10)9(12)8(2-6)5-10/h6-8H,1-5H2

Weigh it out

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

Work with 5-Chloro-2-adamantanone

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-Chloroadamantane935-56-854 % similar 5-Hydroxy-2-adamantanone20098-14-053 % similar Adamantanone700-58-346 % similar 3-Chloroadamantane-1-carboxylic acid34859-74-038 % similar Cyclohexyl ketone119-60-836 % similar Dicyclopropyl ketone1121-37-535 % similar 1-Adamantanecarbonyl chloride2094-72-634 % similar 1-Acetyladamantane1660-04-430 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-tert-Butoxy-4-chlorobenzene18995-35-2 Benzenemethanol, alpha-(2-chloroethyl)-4-methyl-22422-27-1 Chlorothymol89-68-9

Elsewhere

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