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4H-1,2,4-Triazole-3-acetonitrile, 4-methyl-5-phenyl-

4H-1,2,4-Triazole-3-acetonitrile, 4-methyl-5-phenyl- structure

CAS No:
923254-73-3
Formula:
C11H10N4
Chemical Name:
4H-1,2,4-Triazole-3-acetonitrile, 4-methyl-5-phenyl-
Synonyms:
2-(4-METHYL-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)ACETONITRILE;

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4H-1,2,4-Triazole-3-acetonitrile, 4-methyl-5-phenyl- Basic Attributes

Molecular Weight：

198.22400

Exact Mass：

198.090546336

Characteristics

PSA：

54.50000

XLogP3：

1.54818

Density：

1.17±0.1g/cm3

Boiling Point：

426.9±47.0ºC

Computed Properties

Molecular Weight:198.22
XLogP3:0.8
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:198.090546336
Monoisotopic Mass:198.090546336
Topological Polar Surface Area:54.5
Heavy Atom Count:15
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4H-1,2,4-Triazole-3-acetonitrile, 4-methyl-5-phenyl-

Basic Attributes
Characteristics
Computed Properties

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