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26404-47-7 | Phosphonic acid, [1-(acetylamino)-2,2,2-trichloroethyl]-, diethyl ester (9CI)
CAS No: 26404-47-7 Catalog No: AG002T2I MDL No:
Product Description
Catalog Number:
AG002T2I
Chemical Name:
Phosphonic acid, [1-(acetylamino)-2,2,2-trichloroethyl]-, diethyl ester (9CI)
CAS Number:
26404-47-7
Molecular Formula:
C8H15Cl3NO4P
Molecular Weight:
326.5418
IUPAC Name:
N-(2,2,2-trichloro-1-diethoxyphosphorylethyl)acetamide
InChI:
InChI=1S/C8H15Cl3NO4P/c1-4-15-17(14,16-5-2)7(8(9,10)11)12-6(3)13/h7H,4-5H2,1-3H3,(H,12,13)
InChI Key:
BCAPMBHEXGUDJF-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(C(Cl)(Cl)Cl)NC(=O)C)OCC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.535g/mol
Monoisotopic Mass:
324.98g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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