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Flucarbazone

CAT: 1596-AR-F10239-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-F10239-02Size:25 Units
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CAS Number
145026-88-6
Molecular Formula
C12H11F3N4O6S
Molecular Weight
396.30
API Name
Flucarbazone

Chemical Information

Flucarbazone

Flucarbazone is an N-sulfonylurea that is 3-methoxy-4-methyl-5-oxo-4,5-dihydro-1,2,4-triazole-1-carboxamide in which the carboxamide nitrogen has undergone formal condensation with the sulfonic acid group of 2-(trifluoromethoxy)benzenesulfonic acid. An acetolactate synthase inhibitor, it is used (generally as the corresponding sodium salt, flucarbazone-sodium) to control grass weeds in cereal crops. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is an aromatic ether, a member of triazoles, an organofluorine compound and a N-sulfonylurea. It is a conjugate acid of a flucarbazone(1-).

CAS Number145026-88-6
PubChem CID3081367
IUPAC Name3-methoxy-4-methyl-5-oxo-N-[2-(trifluoromethoxy)phenyl]sulfonyl-1,2,4-triazole-1-carboxamide
Molecular FormulaC12H11F3N4O6S
Molecular Weight396.30
XLogP2.4
Topological Polar Surface Area126
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity705
SMILES
CN1C(=NN(C1=O)C(=O)NS(=O)(=O)C2=CC=CC=C2OC(F)(F)F)OC
InChI
InChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)
InChIKey
GINFBXXYGUODAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Flucarbazone
CAS: 145026-88-6
CID: 3081367
Formula: C12H11F3N4O6S
MW: 396.30
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.30
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass396.03513974
Monoisotopic Mass396.03513974
Topological Polar Surface Area126 Ų
Heavy Atom Count26
Formal Charge0
Complexity705
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

Alternative Products

CatalogName
TRC-F148340-50MGFlucarbazone
TRC-F421125-100MGFlucarbazone-sodium
0QBZ9J-01Flucarbazone sodium
S-10191Flucarbazone Sodium - 1ML
TRC-D343230-10MG4-Desmethyl Flucarbazone Sodium Salt

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