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5-(4-chlorophenyl)-1H-1,2,4-triazole

5-(4-chlorophenyl)-1H-1,2,4-triazole structure

CAS No:
23195-59-7
Formula:
C8H6ClN3
Chemical Name:
5-(4-chlorophenyl)-1H-1,2,4-triazole
Synonyms:
3-(4-Chlorophenyl)-1H-1,2,4-triazole;23195-59-7;3-(4-Chlorophenyl)-4H-1,2,4-triazole;1H-1,2,4-Triazole, 3-(4-chlorophenyl)-;5-(4-chlorophenyl)-1H-1,2,4-triazole;SCHEMBL444271;DTXSID1073442;ALBB-032353;ZINC6093344;MFCD19981568;SBB074280;STL433243;AKOS005188452;MCULE-3577644366;LS-11975;ST4151063

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5-(4-chlorophenyl)-1H-1,2,4-triazole Basic Attributes

Molecular Weight：

179.60 g/mol

Exact Mass：

179.0250249 g/mol

DSSTox ID：

DTXSID1073442

Characteristics

PSA：

41.6 Å²

XLogP3：

2.1251

Density：

1.366g/cm3

Boiling Point：

358.5ºC at 760mmHg

Flash Point：

201.9ºC

Refractive Index：

1.623

Vapor Pressure：

2.54E-05mmHg at 25°C

Computed Properties

Molecular Weight:179.60
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:179.0250249
Monoisotopic Mass:179.0250249
Topological Polar Surface Area:41.6
Heavy Atom Count:12
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

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Guide of 5-(4-chlorophenyl)-1H-1,2,4-triazole

Basic Attributes
Characteristics
Computed Properties
Synthesis Route

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