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Metsulfuron-Methyl

CAT: 1299-RG-A260886-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A260886-01Size:10 mg
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CAS Number
74223-64-6
Synonyms
Metsulfuron-methyl
Molecular Formula
C14H15N5O6S
Molecular Weight
381.36
Product Name Synonym
Metsulfuron-methyl

Chemical Information

Metsulfuron-methyl

Metsulfuron methyl is a N-sulfonylurea in which the sulfonyl group is attached to a 2-(methoxycarbonyl)phenyl group while a (4-methoxy-6-methyl-1,3,5-triazin-2-yl group replaces one of the amino hydrogens of the remaining urea group. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a benzoate ester, a methoxy-1,3,5-triazine and a N-sulfonylurea.

CAS Number74223-64-6
PubChem CID52999
IUPAC Namemethyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
Molecular FormulaC14H15N5O6S
Molecular Weight381.37
XLogP1.5
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity609
SMILES
CC1=NC(=NC(=N1)OC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OC
InChI
InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
InChIKey
RSMUVYRMZCOLBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metsulfuron-methyl
CAS: 74223-64-6
CID: 52999
Formula: C14H15N5O6S
MW: 381.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.37
XLogP31.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass381.07430439
Monoisotopic Mass381.07430439
Topological Polar Surface Area158 Ų
Heavy Atom Count26
Formal Charge0
Complexity609
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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CatalogName
CS-AJ-00164Metsulfuron methyl
456173-01Metsulfuron-methyl
S-2621Metsulfuron methyl - 1ML
TRC-D292350-500MGDesmethyl Metsulfuron-methyl
TRC-M227742-25MGMetsulfuron-methyl-d3
HY-B1869RMetsulfuron-methyl (Standard)
AR-M04279-014-Hydroxy Metsulfuron-Methyl
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