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89807-96-5 | 2-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-(phenylthio)-
CAS No: 89807-96-5 Catalog No: AG003Y6G MDL No:
Product Description
Catalog Number:
AG003Y6G
Chemical Name:
2-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-(phenylthio)-
CAS Number:
89807-96-5
Molecular Formula:
C14H9F13OS
Molecular Weight:
472.2649
IUPAC Name:
3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-1-phenylsulfanyloctan-2-ol
InChI:
InChI=1S/C14H9F13OS/c15-9(16,8(28)6-29-7-4-2-1-3-5-7)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-5,8,28H,6H2
InChI Key:
PIMFOKHDBQNFLA-UHFFFAOYSA-N
SMILES:
OC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CSc1ccccc1
Properties
Complexity:
554
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.017g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
472.264g/mol
Monoisotopic Mass:
472.017g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
45.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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