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butonate

CAS No.:
126-22-7
Catalog Number:
AG009GA8
Molecular Formula:
C8H14Cl3O5P
Molecular Weight:
327.5265
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$352
- +
5g
1 week
United States
$1270
- +
10g
1 week
United States
$2455
- +
25g
1 week
United States
$4891
- +
Product Description
Catalog Number:
AG009GA8
Chemical Name:
butonate
CAS Number:
126-22-7
Molecular Formula:
C8H14Cl3O5P
Molecular Weight:
327.5265
MDL Number:
MFCD00018835
IUPAC Name:
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) butanoate
InChI:
InChI=1S/C8H14Cl3O5P/c1-4-5-6(12)16-7(8(9,10)11)17(13,14-2)15-3/h7H,4-5H2,1-3H3
InChI Key:
BKAQXYNWONVOAX-UHFFFAOYSA-N
SMILES:
CCCC(=O)OC(P(=O)(OC)OC)C(Cl)(Cl)Cl
EC Number:
204-778-4
NSC Number:
17872
Properties
Complexity:
296  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.964g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.519g/mol
Monoisotopic Mass:
325.964g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Cannabinoid CB1 receptor as a target for chlorpyrifos oxon and other organophosphorus pesticides. Toxicology letters 20020905
Properties