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3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE

3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE structure

CAS No:
314267-78-2
Formula:
C8H5ClN2O
Chemical Name:
3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE
Synonyms:
3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE;6-Chloro-beta-oxo-3-pyridinepropanenitrile;6-chloro-?-oxo-3-Pyridinepropanenitrile;PubChem12092;3-(2-Chloropyridin-5-yl)-3-oxopropionitrile;SCHEMBL6033886;CTK8I1529;DTXSID20434848;KS-000027ES;ZINC44563830

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3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE Basic Attributes

Molecular Weight：

180.59

Exact Mass：

180.00900

DSSTox ID：

DTXSID20434848

Characteristics

PSA：

53.8

XLogP3：

1.83138

Density：

1.328g/cm3

Boiling Point：

399.72ºC at 760 mmHg

Flash Point：

195.544ºC

Refractive Index：

1.557

Computed Properties

Molecular Weight:180.59
XLogP3:1.4
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:180.0090405
Monoisotopic Mass:180.0090405
Topological Polar Surface Area:53.8
Heavy Atom Count:12
Complexity:220
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE

Basic Attributes
Characteristics
Computed Properties

3-(6-CHLOROPYRIDIN-3-YL)-3-OXOPROPANENITRILE

SDS

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