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144178-02-9 | Benzoic acid, [(heptadecafluorononenyl)oxy]- (9CI)
CAS No: 144178-02-9 Catalog No: AG001J2V MDL No:
Product Description
Catalog Number:
AG001J2V
Chemical Name:
Benzoic acid, [(heptadecafluorononenyl)oxy]- (9CI)
CAS Number:
144178-02-9
Molecular Formula:
C16H5F17O3
Molecular Weight:
568.1820
IUPAC Name:
2-(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoronon-1-enoxy)benzoic acid
InChI:
InChI=1S/C16H5F17O3/c17-7(8(18)36-6-4-2-1-3-5(6)9(34)35)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4H,(H,34,35)
InChI Key:
CFDAVWBGPFCCTM-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)Oc1ccccc1C(=O)O
Properties
Complexity:
861
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
567.997g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
20
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
568.186g/mol
Monoisotopic Mass:
567.997g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.9
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