(1R,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
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(1R,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
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CAS No:
70585-38-5
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Formula:
C20H23N3O2
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Chemical Name:
(1R,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
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Synonyms:
(1R,2R)-bitertanol;(R,R)-(+/-)-bitertanol;Bitertanol, (R,R)-(+/-)-;Bitertanol, isomer 1;CHEBI:83854;ZINC967750;1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-, (alphaR,betaR)-rel-;1H-1,2,4-Triazole-1-ethanol, beta-((1,1'-biphenyl)-4-yloxy)-alpha-(1,1-dimethylethyl)-, (R-(R*,R*))-;70585-38-5;98169-52-9;Q27157280;UNII-GR7Z3Z59G9 component VGPIBGGRCVEHQZ-RBUKOAKNSA-N;UNII-WBV89H756I component VGPIBGGRCVEHQZ-RBUKOAKNSA-N;(1R,2R)-1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol;(1R,2R)-1-(Biphenyl-4-yloxy)-3,3-dimethyl-1-(1H-1,2,4-triazole-1-yl)-2-butanol
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CAS No:
Description
(1R,2R)-bitertanol is a 1-(biphenyl-4-yloxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol that is the (1R,2R)-diastereomer of bitertanol. It is an enantiomer of a (1S,2S)-bitertanol.
(1R,2R)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol Basic Attributes
337.4 g/mol
337.17902698 g/mol
Computed Properties
Molecular Weight:337.4
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:337.17902698
Monoisotopic Mass:337.17902698
Topological Polar Surface Area:60.2
Heavy Atom Count:25
Complexity:398
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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