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Triadimefon

CAT: 1299-RM-T590600-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-T590600-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
43121-43-3
Synonyms
Triadimephon; Tripinacloraz; Webeton; 1- (4-Chlorophenoxy) -3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone; 1- (4-Chlorophenoxy) -3,3-dimethyl-1- (1,2,4-triazol-1-yl) -2-butanone
Molecular Formula
C14H16ClN3O2
Molecular Weight
293.75
Target Alternative Name
Triadimefon
Product Name Synonym
Triadimephon; Tripinacloraz; Webeton; 1- (4-Chlorophenoxy) -3,3-dimethyl-1,2,4-triazol-1-yl-2-butanone; 1- (4-Chlorophenoxy) -3,3-dimethyl-1- (1,2,4-triazol-1-yl) -2-butanone

Chemical Information

Triadimefon

Triadimefon can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number43121-43-3
PubChem CID39385
IUPAC Name1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75
XLogP2.8
Topological Polar Surface Area57
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity338
SMILES
CC(C)(C)C(=O)C(N1C=NC=N1)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
InChIKey
WURBVZBTWMNKQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triadimefon
CAS: 43121-43-3
CID: 39385
Formula: C14H16ClN3O2
MW: 293.75
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight293.75
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass293.0931045
Monoisotopic Mass293.0931045
Topological Polar Surface Area57 Ų
Heavy Atom Count20
Formal Charge0
Complexity338
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