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876746-11-1 | Phosphonic acid, 6-[bis(4-methoxyphenyl)phenylmethoxy]hexyl4-[(trifluoroacetyl)amino]butyl ester
CAS No: 876746-11-1 Catalog No: AG004KFC MDL No:
Product Description
Catalog Number:
AG004KFC
Chemical Name:
Phosphonic acid, 6-[bis(4-methoxyphenyl)phenylmethoxy]hexyl4-[(trifluoroacetyl)amino]butyl ester
CAS Number:
876746-11-1
Molecular Formula:
C33H40F3NO7P-
Molecular Weight:
650.6422
IUPAC Name:
[10-[bis(4-methoxyphenyl)-phenylmethoxy]-4-[(2,2,2-trifluoroacetyl)amino]decoxy]-oxido-oxophosphanium
InChI:
InChI=1S/C33H39F3NO7P/c1-41-29-19-15-26(16-20-29)32(25-11-6-5-7-12-25,27-17-21-30(42-2)22-18-27)43-23-9-4-3-8-13-28(14-10-24-44-45(39)40)37-31(38)33(34,35)36/h5-7,11-12,15-22,28H,3-4,8-10,13-14,23-24H2,1-2H3,(H,37,38)
InChI Key:
LTWLWSPRBFDMNN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(c1ccc(cc1)OC)(c1ccccc1)OCCCCCCC(NC(=O)C(F)(F)F)CCCOP(=O)[O-]
Properties
Complexity:
828
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
649.242g/mol
Formal Charge:
0
Heavy Atom Count:
45
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
649.644g/mol
Monoisotopic Mass:
649.242g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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