4-(2H-Tetrazol-5-yl)benzonitrile
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4-(2H-Tetrazol-5-yl)benzonitrile
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CAS No:
14389-10-7
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Formula:
C8H5N5
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Chemical Name:
4-(2H-Tetrazol-5-yl)benzonitrile
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Synonyms:
Benzonitrile,4-(2H-tetrazol-5-yl)-;Benzonitrile,p-1H-tetrazol-5-yl-;Benzonitrile,4-(1H-tetrazol-5-yl)-;Benzonitrile,p-tetrazol-5-yl-;4-(2H-Tetrazol-5-yl)benzonitrile;5-(4-Cyanophenyl)tetrazole;5-(p-Cyanophenyl)-1H-tetrazole;NSC 338082;5-(4-Cyanophenyl)-1H-tetrazole;4-(1H-Tetrazol-5-yl)benzonitrile
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CAS No:
Characteristics
78.25000
0.73838
1.44g/cm3
258-260 °C @ Solvent: Water, Ethanol
417.6ºC
137.6ºC
1.651
3.49E-07mmHg at 25°C
Computed Properties
Molecular Weight:171.16
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:171.05449518
Monoisotopic Mass:171.05449518
Topological Polar Surface Area:78.2
Heavy Atom Count:13
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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