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Home > Fluorides > 131545-70-5
131545-70-5 | 1,2-Benzenediol, 3-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl)-
CAS No: 131545-70-5 Catalog No: AG000ZEV MDL No:
Product Description
Catalog Number:
AG000ZEV
Chemical Name:
1,2-Benzenediol, 3-(6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl)-
CAS Number:
131545-70-5
Molecular Formula:
C17H15F13O2
Molecular Weight:
498.2790
IUPAC Name:
3-(1,1,2,2,3,3,4,4,5,5,11,11,11-tridecafluoroundecyl)benzene-1,2-diol
InChI:
InChI=1S/C17H15F13O2/c18-12(19,7-2-1-3-8-13(20,21)22)15(25,26)17(29,30)16(27,28)14(23,24)9-5-4-6-10(31)11(9)32/h4-6,31-32H,1-3,7-8H2
InChI Key:
DRLOBDXWYSXYGP-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1O)CCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Properties
Complexity:
618
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.086g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
15
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
498.284g/mol
Monoisotopic Mass:
498.086g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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