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Home > Fluorides > 188980-99-6
188980-99-6 | 1,1'-Biphenyl, 2,2',3-trifluoro-4,4'-bis(octyloxy)-
CAS No: 188980-99-6 Catalog No: AG002HN4 MDL No:
Product Description
Catalog Number:
AG002HN4
Chemical Name:
1,1'-Biphenyl, 2,2',3-trifluoro-4,4'-bis(octyloxy)-
CAS Number:
188980-99-6
Molecular Formula:
C28H39F3O2
Molecular Weight:
464.6033
IUPAC Name:
2,3-difluoro-1-(2-fluoro-4-octoxyphenyl)-4-octoxybenzene
InChI:
InChI=1S/C28H39F3O2/c1-3-5-7-9-11-13-19-32-22-15-16-23(25(29)21-22)24-17-18-26(28(31)27(24)30)33-20-14-12-10-8-6-4-2/h15-18,21H,3-14,19-20H2,1-2H3
InChI Key:
SQMUUGJOQDMSCF-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(c(c1)F)c1ccc(c(c1F)F)OCCCCCCCC
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.29g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.613g/mol
Monoisotopic Mass:
464.29g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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