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2-(2-chlorophenyl)cyclohexanone

2-(2-chlorophenyl)cyclohexanone structure

CAS No:
91393-49-6
Formula:
C12H13ClO
Chemical Name:
2-(2-chlorophenyl)cyclohexanone
Synonyms:
2-(2-chlorophenyl)cyclohexanone;2-(2-chlorophenyl)cyclohexan-1-one;Cyclohexanone, 2-(2-chlorophenyl)-
Categories:
Active Pharmaceutical Ingredients > Other Chemical Drugs

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2-(2-chlorophenyl)cyclohexanone Basic Attributes

Molecular Weight：

208.68

Exact Mass：

208.0654927

DSSTox ID：

DTXSID30402558

Characteristics

PSA：

17.07000

XLogP3：

3.56670

Density：

1.165±0.06 g/cm3

Melting Point：

60-62 °C

Boiling Point：

308.8±42.0 °C(Predicted)

2-(2-chlorophenyl)cyclohexanone Use and Manufacturing

2-(2-Chlorophenyl)-cyclohexanone is a reactant that is used in the preparation of benzofurans via palladium-phosphine-catalyzed intramolecular enolate O-arylation of α-arylketones.

Computed Properties

Molecular Weight:208.68
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:208.0654927
Monoisotopic Mass:208.0654927
Topological Polar Surface Area:17.1
Heavy Atom Count:14
Complexity:214
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(2-chlorophenyl)cyclohexanone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties
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Latest News
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