beta-(4-Chlorophenyl)-beta-hydroxy-alpha,alpha-dimethyl-1H-1,2,4-triazole-1-butanal oxime
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beta-(4-Chlorophenyl)-beta-hydroxy-alpha,alpha-dimethyl-1H-1,2,4-triazole-1-butanal oxime
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CAS No:
126489-86-9
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Formula:
C14H17ClN4O2
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Chemical Name:
beta-(4-Chlorophenyl)-beta-hydroxy-alpha,alpha-dimethyl-1H-1,2,4-triazole-1-butanal oxime
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Synonyms:
Bay U 3625;Bay U 3625, (+-)-isomer;Bay-U 3625;1H-1,2,4-Triazole-1-butanal, beta-(4-chlorophenyl)-beta-hydroxy-alpha,alpha-dimethyl-, oxime
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CAS No:
beta-(4-Chlorophenyl)-beta-hydroxy-alpha,alpha-dimethyl-1H-1,2,4-triazole-1-butanal oxime Basic Attributes
308.76338
308.104
Characteristics
83.5
1.9
1.29±0.1 g/cm3(Predicted)
555.0±60.0 °C(Predicted)
289.5ºC
1.604
0mmHg at 25°C
Computed Properties
Molecular Weight:308.76
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:5
Exact Mass:308.1040035
Monoisotopic Mass:308.1040035
Topological Polar Surface Area:83.5
Heavy Atom Count:21
Complexity:372
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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beta-(4-Chlorophenyl)-beta-hydroxy-alpha,alpha-dimethyl-1H-1,2,4-triazole-1-butanal oxime
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