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24962-65-0 | 1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, 1-(4-methylbenzenesulfonate)
CAS No: 24962-65-0 Catalog No: AG002Q0B MDL No:MFCD04038349
Product Description
Catalog Number:
AG002Q0B
Chemical Name:
1-Octanol, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-, 1-(4-methylbenzenesulfonate)
CAS Number:
24962-65-0
Molecular Formula:
C15H9F15O3S
Molecular Weight:
554.2712
MDL Number:
MFCD04038349
IUPAC Name:
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl 4-methylbenzenesulfonate
InChI:
InChI=1S/C15H9F15O3S/c1-7-2-4-8(5-3-7)34(31,32)33-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,6H2,1H3
InChI Key:
OTZYGTLBGUNRBX-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(COS(=O)(=O)c1ccc(cc1)C)F
NSC Number:
173912
Properties
Complexity:
821
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.003g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
18
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
554.27g/mol
Monoisotopic Mass:
554.003g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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