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Chlorimuron-ethyl

CAT: 0013-GTR19188683-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188683-02Size:100 mg
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Description
Chlorimuron-ethyl is a sulfonylurea herbicide used in soybean farming, which functions by inhibiting the acetolactate synthase (ALS) enzyme, leading to oxidative stress in plants. It is a valuable research chemical for studying herbicide resistance, plant physiology, and oxidative damage mechanisms in both in vitro enzyme assays and in vivo plant studies.
CAS Number
90982-32-4
Smiles
O=C (OCC) C=1C=CC=CC1S (=O) (=O) NC (=O) NC2=NC (Cl) =CC (=N2) OC
Molecular Formula
C15H15ClN4O6S
Molecular Weight
414.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Chlorimuron-ethyl

Chlorimuron-ethyl is an ethyl ester resulting from the formal condensation of the carboxy group of chlorimuron with ethanol. A proherbicide for chloimuron, it is used as herbicide for the control of broad-leaved weeds in peanuts, soya beans, and other crops. It has a role as a proherbicide, an EC 2.2.1.6 (acetolactate synthase) inhibitor and an agrochemical. It is an ethyl ester, an aromatic ether, an organochlorine pesticide, a member of pyrimidines, a sulfamoylbenzoate and a N-sulfonylurea. It is functionally related to a chlorimuron. It is a conjugate acid of a chlorimuron-ethyl(1-).

CAS Number90982-32-4
PubChem CID56160
IUPAC Nameethyl 2-[(4-chloro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate
Molecular FormulaC15H15ClN4O6S
Molecular Weight414.8
XLogP2.7
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity628
SMILES
CCOC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NC(=CC(=N2)Cl)OC
InChI
InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22)
InChIKey
NSWAMPCUPHPTTC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Chlorimuron-ethyl
CAS: 90982-32-4
CID: 56160
Formula: C15H15ClN4O6S
MW: 414.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.8
XLogP32.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass414.0400831
Monoisotopic Mass414.0400831
Topological Polar Surface Area145 Ų
Heavy Atom Count27
Formal Charge0
Complexity628
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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