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Triflusulfuron

CAT: 1596-AR-T05969-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-T05969-01Size:10 Units
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CAS Number
135990-29-3
Molecular Formula
C16H17F3N6O6S
Molecular Weight
478.40
API Name
Triflusulfuron

Chemical Information

Triflusulfuron

Triflusulfuron is an N-sulfonylurea that is urea in which a hydrogen attached to one of the nitrogens has been replaced by a (2-carboxy-6-methylphenyl)sulfonyl group, while a hydrogen attached to the other nitrogen has been replaced by a 4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl group. An acetolactate synthase inhibitor, it is used (generally as the corresponding methyl ester proherbicide) to control annual and perennial broad-leaved weeds in sugar beet and other crops. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is a member of benzoic acids, a member of 1,3,5-triazines, an aromatic ether, an organofluorine compound, a tertiary amino compound and a N-sulfonylurea.

CAS Number135990-29-3
PubChem CID86416
IUPAC Name2-[[4-(dimethylamino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]-3-methylbenzoic acid
Molecular FormulaC16H17F3N6O6S
Molecular Weight478.4
XLogP2.8
Topological Polar Surface Area172
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity777
SMILES
CC1=C(C(=CC=C1)C(=O)O)S(=O)(=O)NC(=O)NC2=NC(=NC(=N2)OCC(F)(F)F)N(C)C
InChI
InChI=1S/C16H17F3N6O6S/c1-8-5-4-6-9(11(26)27)10(8)32(29,30)24-14(28)21-12-20-13(25(2)3)23-15(22-12)31-7-16(17,18)19/h4-6H,7H2,1-3H3,(H,26,27)(H2,20,21,22,23,24,28)
InChIKey
AKTQJCBOGPBERP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Triflusulfuron
CAS: 135990-29-3
CID: 86416
Formula: C16H17F3N6O6S
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass478.08823794
Monoisotopic Mass478.08823794
Topological Polar Surface Area172 Ų
Heavy Atom Count32
Formal Charge0
Complexity777
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
FT103412-01Triflusulfuron
HY-117230-01Triflusulfuron-methyl
TRC-B897260-2.5MGBenzyl Triflusulfuron
TRC-T782003-50MGTriflusulfuron-methyl-d3
HY-117230RTriflusulfuron-methyl (Standard)
S-3929-ACNTriflusulfuron-methyl 1000 ug/mL in Acetonitrile

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