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1-Chloroisoquinoline-4-carbonitrile

1-Chloroisoquinoline-4-carbonitrile structure

CAS No:
53491-80-8
Formula:
C10H5ClN2
Chemical Name:
1-Chloroisoquinoline-4-carbonitrile
Synonyms:
1-Chloroisoquinoline-4-carbonitrile;4-Isoquinolinecarbonitrile, 1-chloro-;1-chloro-4-cyanoisoquinoline;SCHEMBL2707163;CTK1E3826;KS-00000OCC;DTXSID70520144;ANW-54079;ZINC39401600;AKOS015851237

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1-Chloroisoquinoline-4-carbonitrile Basic Attributes

Molecular Weight：

188.6131

Exact Mass：

188.014130

DSSTox ID：

DTXSID70520144

HScode：

2933499090

Characteristics

PSA：

36.7

XLogP3：

2.8

Density：

1.4±0.1 g/cm3

Flash Point：

168.6±22.3 °C

Refractive Index：

1.667

Computed Properties

Molecular Weight:188.61
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Exact Mass:188.0141259
Monoisotopic Mass:188.0141259
Topological Polar Surface Area:36.7
Heavy Atom Count:13
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-Chloroisoquinoline-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

1-Chloroisoquinoline-4-carbonitrile

SDS

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