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1652-66-0 | Pentadecanoic acid, 12,12,13,13,14,14,15,15,15-nonafluoro-
CAS No: 1652-66-0 Catalog No: AG001W0K MDL No:
Product Description
Catalog Number:
AG001W0K
Chemical Name:
Pentadecanoic acid, 12,12,13,13,14,14,15,15,15-nonafluoro-
CAS Number:
1652-66-0
Molecular Formula:
C15H21F9O2
Molecular Weight:
404.3117
IUPAC Name:
12,12,13,13,14,14,15,15,15-nonafluoropentadecanoic acid
InChI:
InChI=1S/C15H21F9O2/c16-12(17,13(18,19)14(20,21)15(22,23)24)10-8-6-4-2-1-3-5-7-9-11(25)26/h1-10H2,(H,25,26)
InChI Key:
AAXRUIWADFCFQA-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.14g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.317g/mol
Monoisotopic Mass:
404.14g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.2
Literature
| Title | Journal |
|---|---|
| Packing conflicts in the Z' = 5 structure of CF(3)(CF(2))(3)(CH(2))(10)COOH. | Acta crystallographica. Section B, Structural science 20040601 |
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