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1324007-10-4 | Propanoic acid, 3-[[13-(4-formylphenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl]oxy]-, 2,3,4,5,6-pentafluorophenyl ester
CAS No: 1324007-10-4 Catalog No: AG0010N4 MDL No:
Product Description
Catalog Number:
AG0010N4
Chemical Name:
Propanoic acid, 3-[[13-(4-formylphenyl)-13-oxo-3,6,9-trioxa-12-azatridec-1-yl]oxy]-, 2,3,4,5,6-pentafluorophenyl ester
CAS Number:
1324007-10-4
Molecular Formula:
C25H26F5NO8
Molecular Weight:
563.4679
IUPAC Name:
(2,3,4,5,6-pentafluorophenyl) 3-[2-[2-[2-[2-[(4-formylbenzoyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C25H26F5NO8/c26-19-20(27)22(29)24(23(30)21(19)28)39-18(33)5-7-35-9-11-37-13-14-38-12-10-36-8-6-31-25(34)17-3-1-16(15-32)2-4-17/h1-4,15H,5-14H2,(H,31,34)
InChI Key:
NHBPGMASABKYSZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C(=O)NCCOCCOCCOCCOCCC(=O)Oc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
715
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
563.158g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
563.474g/mol
Monoisotopic Mass:
563.158g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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