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Home > Fluorides > 131545-71-6
131545-71-6 | 1,2-Benzenediol, 3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecyl)-
CAS No: 131545-71-6 Catalog No: AG000ZEU MDL No:
Product Description
Catalog Number:
AG000ZEU
Chemical Name:
1,2-Benzenediol, 3-(12,12,13,13,14,14,15,15,15-nonafluoropentadecyl)-
CAS Number:
131545-71-6
Molecular Formula:
C21H27F9O2
Molecular Weight:
482.4235
IUPAC Name:
3-(1,1,2,2,3,3,15,15,15-nonafluoropentadecyl)benzene-1,2-diol
InChI:
InChI=1S/C21H27F9O2/c22-18(23,13-8-6-4-2-1-3-5-7-9-14-19(24,25)26)21(29,30)20(27,28)15-11-10-12-16(31)17(15)32/h10-12,31-32H,1-9,13-14H2
InChI Key:
PQLQPSVEWHZCAF-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1O)CCCCCCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.187g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
482.431g/mol
Monoisotopic Mass:
482.187g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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