1-(Perfluorooctyl)docosane - CAS 137338-40-0
Catalog: |
BB057887 |
Product Name: |
1-(Perfluorooctyl)docosane |
CAS: |
137338-40-0 |
Synonyms: |
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotriacontane; 1-(Perfluorooctyl)docosane |
IUPAC Name: | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorotriacontane |
Molecular Weight: | 728.65 |
Molecular Formula: | C30H45F17 |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCCCCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
InChI: | InChI=1S/C30H45F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h2-22H2,1H3 |
InChI Key: | HUBKJPDTNKYKGO-UHFFFAOYSA-N |
Complexity: | 850 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 728.3249802 |
Formal Charge: | 0 |
Heavy Atom Count: | 47 |
Hydrogen Bond Acceptor Count: | 17 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 728.3249802 |
Rotatable Bond Count: | 27 |
Topological Polar Surface Area: | 0Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 17.6 |
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