(+)-Diniconazole
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(+)-Diniconazole
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CAS No:
83657-19-6
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Formula:
C15H17Cl2N3O
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Chemical Name:
(+)-Diniconazole
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Synonyms:
1H-1,2,4-Triazole-1-ethanol,β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-,(αS,βE)-;1H-1,2,4-Triazole-1-ethanol,β-[(2,4-dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-,[S-(E)]-;(αS,βE)-β-[(2,4-Dichlorophenyl)methylene]-α-(1,1-dimethylethyl)-1H-1,2,4-triazole-1-ethanol;(S)-S 3308;(E)-(+)-1-(2,4-Dichlorophenyl)-2-(1,2,4-triazol-1-yl)-4,4-dimethyl-1-penten-3-ol;(S)-Diniconazole;(+)-Diniconazole
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CAS No:
Description
ChEBI: A (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the (S)-enantiomer of diniconazole.
(S)-diniconazole is a (1E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol that is the (S)-enantiomer of diniconazole. It is an enantiomer of a diniconazole-M.
Characteristics
50.9
3.99000
1.27g/cm3
161 °C
501.1ºC at 760 mmHg
256.8ºC
1.592
D24 +26° (c = 1 in CHCl3)
Computed Properties
Molecular Weight:326.2
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:325.0748676
Monoisotopic Mass:325.0748676
Topological Polar Surface Area:50.9
Heavy Atom Count:21
Complexity:384
Defined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes