6-Chloro-2-tetralone

C₁₀H₉ClOCAS 17556-18-2180.63 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₀H₉ClO
Molar mass: 180.63 g/mol
Exact mass: 180.0342 Da
logP: 2.40Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers

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

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

17556-18-2

SMILES

C1CC2=C(CC1=O)C=CC(=C2)Cl

InChIKey

QQSYTUUAEZUAKL-UHFFFAOYSA-N

InChI

InChI=1S/C10H9ClO/c11-9-3-1-8-6-10(12)4-2-7(8)5-9/h1,3,5H,2,4,6H2

Weigh it out

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

Work with 6-Chloro-2-tetralone

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

6-Fluoro-1,2,3,4-tetrahydronaphthalen-2-one29419-14-560 % similar 6-Bromo-2-tetralone4133-35-160 % similar 2-Tetralone530-93-856 % similar 6-Methoxy-1,2,3,4-tetrahydronaphthalen-2-one2472-22-255 % similar 6-Chloro-1-indanone14548-38-053 % similar 5-Chloro-1-indanone42348-86-753 % similar 7-Methoxy-2-tetralone4133-34-048 % similar 3-(2,4-Dichlorophenyl)propionic acid55144-92-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-1-tetralone26673-31-4 7-Chloro-1,2,3,4-tetrahydronaphthalen-1-one26673-32-5 4-(4-Chlorophenyl)-3-buten-2-one3160-40-5 (4-Chlorophenyl)cyclopropylmethanone6640-25-1

Elsewhere

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