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17773-95-4

17773-95-4 | Hexadecanoic acid, 1-[[[[bis(2-chloroethyl)amino]phenoxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester (9CI)

CAS No: 17773-95-4 Catalog No: AG0025IL MDL No:

Product Description

Catalog Number:
AG0025IL
Chemical Name:
Hexadecanoic acid, 1-[[[[bis(2-chloroethyl)amino]phenoxyphosphinyl]oxy]methyl]-1,2-ethanediyl ester (9CI)
CAS Number:
17773-95-4
IUPAC Name:
[3-[bis(2-chloroethyl)amino-phenoxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
InChI:
InChI=1S/C45H80Cl2NO7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30-34-44(49)52-40-43(54-45(50)35-31-26-24-22-20-18-16-14-12-10-8-6-4-2)41-53-56(51,48(38-36-46)39-37-47)55-42-32-28-27-29-33-42/h27-29,32-33,43H,3-26,30-31,34-41H2,1-2H3
InChI Key:
GNAKLUQNTHYFEP-UHFFFAOYSA-N
NSC Number:
128859

Properties

Complexity:
949  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
847.505g/mol
Formal Charge:
0
Heavy Atom Count:
56  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
849.009g/mol
Monoisotopic Mass:
847.505g/mol
Rotatable Bond Count:
43  
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
17.2  

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