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Etoxazole

CAT: 0013-GTR19169973-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19169973-02Size:1 ml x 10 mM (in DMSO)
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Description
Etoxazole is a chitin biosynthesis inhibitor used as an acaricide and insecticide for mite control. It serves as a reference standard in analytical chemistry for pesticide detection and residue analysis in agricultural and environmental research.
CAS Number
153233-91-1
Product Name Alternative
Chitin synthesis, Etoxazole
Purity
97.14% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween-80+45% Saline:1.67 mg/mL (4.65 mM) ; DMSO:50 mg/mL (139.12 mM)
Smiles
CCOc1cc (ccc1C1COC (=N1) c1c (F) cccc1F) C (C) (C) C
Molecular Formula
C21H23F2NO2
Molecular Weight
359.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Etoxazole

Etoxazole is an organofluorine acaricide.

CAS Number153233-91-1
PubChem CID153974
IUPAC Name4-(4-tert-butyl-2-ethoxyphenyl)-2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazole
Molecular FormulaC21H23F2NO2
Molecular Weight359.4
XLogP5.4
Topological Polar Surface Area30.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity495
SMILES
CCOC1=C(C=CC(=C1)C(C)(C)C)C2COC(=N2)C3=C(C=CC=C3F)F
InChI
InChI=1S/C21H23F2NO2/c1-5-25-18-11-13(21(2,3)4)9-10-14(18)17-12-26-20(24-17)19-15(22)7-6-8-16(19)23/h6-11,17H,5,12H2,1-4H3
InChIKey
IXSZQYVWNJNRAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etoxazole
CAS: 153233-91-1
CID: 153974
Formula: C21H23F2NO2
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass359.16968530
Monoisotopic Mass359.16968530
Topological Polar Surface Area30.8 Ų
Heavy Atom Count26
Formal Charge0
Complexity495
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes