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5-Chloro-1H-1,2,3-triazole-4-carbonitrile

5-Chloro-1H-1,2,3-triazole-4-carbonitrile structure

CAS No:
88474-32-2
Formula:
C3HClN4
Chemical Name:
5-Chloro-1H-1,2,3-triazole-4-carbonitrile
Synonyms:
1H-1,2,3-Triazole-4-carbonitrile,5-chloro-;5-Chloro-1H-1,2,3-triazole-4-carbonitrile;106824-83-3

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5-Chloro-1H-1,2,3-triazole-4-carbonitrile Basic Attributes

Molecular Weight：

128.52

Exact Mass：

128.52

DSSTox ID：

DTXSID10237062

HScode：

2933990090

Characteristics

PSA：

65.36000

XLogP3：

0.32978

Density：

1.68±0.1 g/cm3

Melting Point：

149-150 °C @ Solvent: Benzene, Hexane

Boiling Point：

384.7±22.0 °C(Predicted)

Flash Point：

186.4ºC

Refractive Index：

1.586

PKA：

3.89±0.70

Computed Properties

Molecular Weight:128.52
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:127.9889737
Monoisotopic Mass:127.9889737
Topological Polar Surface Area:65.4
Heavy Atom Count:8
Complexity:127
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-Chloro-1H-1,2,3-triazole-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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