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Pethoxamid

CAT: 0926-GEA70029-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-GEA70029-01Size:100 mg
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CAS Number
106700-29-2
Smiles
CCOCCN (C (=O) CCl) C (=C (C) C) C1=CC=CC=C1
Molecular Formula
C16H22ClNO2
Molecular Weight
295.8 g/mol
Controlled
No

Chemical Information

Pethoxamid

Pethoxamide is a monocarboxylic acid amide that is acetamide substituted by a chloro group at position 2 and a 2-ethoxyethyl and a 2-methyl-1-phenylprop-1-en-1-yl at the nitrogen atom. It is an agrochemical used as a herbicide. It has a role as a herbicide, an agrochemical, a xenobiotic and an environmental contaminant. It is an ether, a monocarboxylic acid amide, an organochlorine compound and an olefinic compound.

CAS Number106700-29-2
PubChem CID6450826
IUPAC Name2-chloro-N-(2-ethoxyethyl)-N-(2-methyl-1-phenylprop-1-enyl)acetamide
Molecular FormulaC16H22ClNO2
Molecular Weight295.80
XLogP3.5
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity331
SMILES
CCOCCN(C(=O)CCl)C(=C(C)C)C1=CC=CC=C1
InChI
InChI=1S/C16H22ClNO2/c1-4-20-11-10-18(15(19)12-17)16(13(2)3)14-8-6-5-7-9-14/h5-9H,4,10-12H2,1-3H3
InChIKey
CSWIKHNSBZVWNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pethoxamid
CAS: 106700-29-2
CID: 6450826
Formula: C16H22ClNO2
MW: 295.80
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.80
XLogP33.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass295.1339066
Monoisotopic Mass295.1339066
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity331
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
T211339-01Pethoxamid
TRC-P292655-25MGPethoxamid Sulfonic Acid-D5
TRC-P292500-50MGPethoxamid Sulfonic Acid Sodium Salt

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