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Ethametsulfuron

CAT: 0926-FE184404-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0926-FE184404-01Size:2 mg
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CAS Number
111353-84-5
Synonyms
2-[[[[[4-Ethoxy-6- (methylamino) -1,3,5-triazin-2-yl]amino]carbonyl]amino]sulfonyl]benzoic acid
Molecular Formula
C14H16N6O6S
Molecular Weight
396.38 g/mol
Controlled
No

Chemical Information

Ethametsulfuron

Ethametsulfuron is an N-sulfonylurea that is urea in which one of the nitrogens has been substituted by a 4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl group, while the other has been substituted by a (2-carboxyphenyl)sulfonyl group. It has a role as a herbicide. It is a member of benzoic acids, an aromatic ether, a diamino-1,3,5-triazine and a N-sulfonylurea.

CAS Number111353-84-5
PubChem CID86304
IUPAC Name2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid
Molecular FormulaC14H16N6O6S
Molecular Weight396.38
XLogP1.5
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity626
SMILES
CCOC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)NC
InChI
InChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)
InChIKey
IRLGCAJYYKDTCG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethametsulfuron
CAS: 111353-84-5
CID: 86304
Formula: C14H16N6O6S
MW: 396.38
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.38
XLogP31.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass396.08520342
Monoisotopic Mass396.08520342
Topological Polar Surface Area181 Ų
Heavy Atom Count27
Formal Charge0
Complexity626
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-E675810-100MGEthametsulfuron-methyl
AR-M04280-01Ethametsulfuron
TRC-E675813-50MGEthametsulfuron-methyl Sodium Salt

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