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Pentanochlor

CAT: 0013-GTR19193161-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193161-01Size:25 mg
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Description
Pentanochlor is a herbicide used in agricultural research and in studies of pyrazolyl pyrazole derivative compositions. It serves as a tool in ecotoxicology, particularly for in vivo studies examining the impairment of mobility and development in freshwater snails like Physa fontinalis and Lymnaea stagnalis.
CAS Number
2307-68-8
Smiles
CCCC (C) C (=O) NC1=CC=C (C) C (Cl) =C1
Molecular Formula
C13H18ClNO
Molecular Weight
239.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pentanochlor

Pentanochlor is an anilide.

CAS Number2307-68-8
PubChem CID16826
IUPAC NameN-(3-chloro-4-methylphenyl)-2-methylpentanamide
Molecular FormulaC13H18ClNO
Molecular Weight239.74
XLogP4.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count16
Formal Charge0
Complexity232
SMILES
CCCC(C)C(=O)NC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C13H18ClNO/c1-4-5-10(3)13(16)15-11-7-6-9(2)12(14)8-11/h6-8,10H,4-5H2,1-3H3,(H,15,16)
InChIKey
WGVWLKXZBUVUAM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pentanochlor
CAS: 2307-68-8
CID: 16826
Formula: C13H18ClNO
MW: 239.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.74
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass239.1076919
Monoisotopic Mass239.1076919
Topological Polar Surface Area29.1 Ų
Heavy Atom Count16
Formal Charge0
Complexity232
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

Alternative Products

CatalogName
TRC-P274025-250MGPentanochlor

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