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Chemical structure of Mesotrione

GC19759

Mesotrione

Also known as 2-(4-methylsulfonyl-2-nitrobenzoyl)cyclohexane-1,3-dione

Mesotrione is a herbicide belongs to the benzoylcyclohexanedione family

ChemicalCAS104206-82-8MW339.32FormulaC14H13NO7S•
CAS number
104206-82-8
Molecular weight
339.32
Formula
C14H13NO7S•
Solubility
DMSO ： 100 mg/mL (294·71 mM; Need ultrasonic)
InChIKey
KPUREKXXPHOJQT-UHFFFAOYSA-N
Catalogue number
GC19759
Brand
GLPBIO
Computed properties PubChem CID 175967 · XLogP 0.7 · TPSA 140 Ų · H-bond donors 0
XLogP
0.7
TPSA
140 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
23

SMILES CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]

Computed descriptors from PubChem (CID 175967), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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