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Home > Fluorides > 121699-18-1
121699-18-1 | 1,3-Benzenedicarbonyl dichloride, 5-[(heptadecafluorononenyl)oxy]- (9CI)
CAS No: 121699-18-1 Catalog No: AG0015L8 MDL No:
Product Description
Catalog Number:
AG0015L8
Chemical Name:
1,3-Benzenedicarbonyl dichloride, 5-[(heptadecafluorononenyl)oxy]- (9CI)
CAS Number:
121699-18-1
Molecular Formula:
C17H3Cl2F17O3
Molecular Weight:
649.0828
IUPAC Name:
5-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)benzene-1,3-dicarbonyl chloride
InChI:
InChI=1S/C17H3Cl2F17O3/c18-8(37)4-1-5(9(19)38)3-6(2-4)39-10(21)7(20)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)16(32,33)17(34,35)36/h1-3H
InChI Key:
RRPVUVFTFFPAND-UHFFFAOYSA-N
SMILES:
FC(=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)Oc1cc(cc(c1)C(=O)Cl)C(=O)Cl
Properties
Complexity:
969
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
647.919g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
649.081g/mol
Monoisotopic Mass:
647.919g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
8.4
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