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Home > Encyclopedia > 5-Chloro-1H-indole-3-carbonitrile

5-Chloro-1H-indole-3-carbonitrile

5-Chloro-1H-indole-3-carbonitrile structure

5-Chloro-1H-indole-3-carbonitrile 

structure

5-Chloro-1H-indole-3-carbonitrile Basic Attributes

176.6

176.60

DTXSID70652994

2933990090

Characteristics

39.6

2.9

1.41

198-199 °C

383.8±22.0 °C(Predicted)

185.9ºC

1.686

4.28E-06mmHg at 25°C

5-Chloro-1H-indole-3-carbonitrile Use and Manufacturing

General procedure: A mixture of CuI (0.6 mmol), indoles (0.5 mmol) and benzyl cyanide (0.6 mmol) in DMF (3.0 mL) was stirred under air at 100 °C for 34 h and then cooled to room temperature. After the reaction mixture was quenched with 10 mL of water, it was extracted with DCM (3×10 mL). The combined organic layers were washed with the saturated aqueous solution of sodium chloride and dried over MgSO

Computed Properties

Molecular Weight:176.60
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:176.0141259
Monoisotopic Mass:176.0141259
Topological Polar Surface Area:39.6
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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