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SIMECONAZOLE

CAS No.:
149508-90-7
Catalog Number:
AG00APIE
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00APIE
Chemical Name:
SIMECONAZOLE
CAS Number:
149508-90-7
MDL Number:
MFCD06200761
IUPAC Name:
2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
InChI:
InChI=1S/C14H20FN3OSi/c1-20(2,3)9-14(19,8-18-11-16-10-17-18)12-4-6-13(15)7-5-12/h4-7,10-11,19H,8-9H2,1-3H3
InChI Key:
YABFPHSQTSFWQB-UHFFFAOYSA-N
EC Number:
604-694-1
Properties
Complexity:
318  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.136g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
293.417g/mol
Monoisotopic Mass:
293.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Enantioselective determination of triazole fungicide simeconazole in vegetables, fruits, and cereals using modified QuEChERS (quick, easy, cheap, effective, rugged and safe) coupled to gas chromatography/tandem mass spectrometry. Analytica chimica acta 20110919
Evaluation of the systemic activity of simeconazole in comparison with that of other DMI fungicides. Pest management science 20040901
Systemic activity of simeconazole and its derivatives in plants. Pest management science 20040901
Synthesis and fungicidal activity of enantiomerically pure (R)- and (S)-silicon-containing azole fungicides. Bioorganic & medicinal chemistry 20040701
Synthesis of 1-triazolyl-4-trimethylsilyl-2-butanol and 1-triazolyl-5-trimethylsilyl-2-pentanol derivatives and an investigation of their fungicidal activities. Chemical & pharmaceutical bulletin 20030901
Synthesis of silicon-containing azole derivatives with magnesium bromide diethyl etherate, and an investigation of their fungicidal activities. Bioorganic & medicinal chemistry 20021201
Properties