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Metolachlor

CAT: 0013-GTR19155510-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155510-04Size:100 mg
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Description
Metolachlor is an organic compound. Metolachlor is also widely used as an herbicide.
CAS Number
51218-45-2
Purity
>98% (HPLC)
Solubility
DMSO:Soluble
Smiles
CCc (cccc1C) c1N (C (C) COC) C (CCl) =O
Molecular Formula
C15H22ClNO2
Molecular Weight
283.79
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Metolachlor

2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide is an organochlorine compound that is 2-chloroacetamide substituted by a (2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl) group at the nitrogen atom. It is a member of benzenes, an ether, an organochlorine compound and an aromatic amide.

CAS Number51218-45-2
PubChem CID4169
IUPAC Name2-chloro-N-(2-ethyl-6-methylphenyl)-N-(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(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
InChIKey
WVQBLGZPHOPPFO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Metolachlor
CAS: 51218-45-2
CID: 4169
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 Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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