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(S) -Metolachor (Standard)

CAT: 0804-HY-117279RSize: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-117279RSize:1 Each
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Description
(S) -Metolachor (Standard) is the analytical standard of (S) -Metolachor. This product is intended for research and analytical applications. (S) -Metolachor, a derivative of aniline, is a major pesticide in use.
CAS Number
87392-12-9
UNSPSC
12352005
Target
Herbicide; Reference Standards
Type
Reference Standards
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/s-metolachor-standard.html
Smiles
O=C(N(C1=C(C)C=CC=C1CC)[C@@H](C)COC)CCl
Molecular Formula
C15H22ClNO2
Molecular Weight
283.79
References & Citations
[1]Fauvelle V, et al. Simulated conservative tracer as a proxy for S-metolachlor concentration predictions compared to POCIS measurements in Arcachon Bay. Mar Pollut Bull. 2018 Aug;133:423-427.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

S-Metolachlor

(S)-metolachlor is the (S)-enantiomer of 2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide. It is an enantiomer of a (R)-metolachlor.

CAS Number87392-12-9
PubChem CID11140605
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)-N-[(2S)-1-methoxypropan-2-yl]acetamide
Molecular FormulaC15H22ClNO2
Molecular Weight283.79
XLogP3.1
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity285
SMILES
CCC1=CC=CC(=C1N([C@@H](C)COC)C(=O)CCl)C
InChI
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3/t12-/m0/s1
InChIKey
WVQBLGZPHOPPFO-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of S-Metolachlor
CAS: 87392-12-9
CID: 11140605
Formula: C15H22ClNO2
MW: 283.79
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.79
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass283.1339066
Monoisotopic Mass283.1339066
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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