(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanolPESTANAL
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(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanolPESTANAL
structure -
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CAS No:
70585-35-2
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Formula:
C14H18ClN3O2
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Chemical Name:
(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanolPESTANAL
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Synonyms:
triadimenol A;erythro-Triadimenol;Triadimenol B;(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol;82200-72-4;Triadimenol I;89482-17-7;Triadimenol, erythro-;(1RS,2SR)-Triadimenol
- Categories:
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CAS No:
(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanolPESTANAL Basic Attributes
295.76462
295.109
Safety Information
2
22-52/53
61
Xn
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:295.76
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:295.1087545
Monoisotopic Mass:295.1087545
Topological Polar Surface Area:60.2
Heavy Atom Count:20
Complexity:303
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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(aR,)-rel-a-tert-Butyl-b-(4-chlorophenoxy)-1H-1,2,4-triazole-1-ethanolPESTANAL
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