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126-22-7,MFCD00018835
Catalog No.:AA009G7G

126-22-7 | butonate

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  • Technical Information
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Technical Information
Catalog Number:
AA009G7G
Chemical Name:
butonate
CAS Number:
126-22-7
Molecular Formula:
C8H14Cl3O5P
Molecular Weight:
327.5265
MDL Number:
MFCD00018835
SMILES:
CCCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl
NSC Number:
17872
Properties
Computed Properties
 
Complexity:
296  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Rotatable Bond Count:
7  
Undefined Atom Stereocenter Count:
1  
XLogP3:
2.2  

Literature

Title: Cannabinoid CB1 receptor as a target for chlorpyrifos oxon and other organophosphorus pesticides.

Journal: Toxicology letters 20020905

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SDS
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