embeconazole
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embeconazole
structure -
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CAS No:
329744-44-7
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Formula:
C27H25F3N4O3S
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Chemical Name:
embeconazole
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Synonyms:
embeconazole;trans-4-[4-[5-[2(R)-(2,4-Difluorophenyl)-2-hydroxy-1(R)-Methyl-3-(1H-1,2,4-triazol-1-yl)propylsulfanyl]-1,3-dioxan-2-yl]-1(E),3(E)-butadienyl]-3-fluorobenzonitrile
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CAS No:
Computed Properties
Molecular Weight:542.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:542.15994633
Monoisotopic Mass:542.15994633
Topological Polar Surface Area:119
Heavy Atom Count:38
Complexity:868
Defined Atom Stereocenter Count:2
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes