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Home > Fluorides > 130072-44-5
130072-44-5 | 1,1'-Biphenyl, 2-fluoro-4,4'-bis(octyloxy)-
CAS No: 130072-44-5 Catalog No: AG000TZ2 MDL No:
Product Description
Catalog Number:
AG000TZ2
Chemical Name:
1,1'-Biphenyl, 2-fluoro-4,4'-bis(octyloxy)-
CAS Number:
130072-44-5
Molecular Formula:
C28H41FO2
Molecular Weight:
428.6223
IUPAC Name:
2-fluoro-4-octoxy-1-(4-octoxyphenyl)benzene
InChI:
InChI=1S/C28H41FO2/c1-3-5-7-9-11-13-21-30-25-17-15-24(16-18-25)27-20-19-26(23-28(27)29)31-22-14-12-10-8-6-4-2/h15-20,23H,3-14,21-22H2,1-2H3
InChI Key:
DOWSBSNFRHNAPI-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1)c1ccc(cc1F)OCCCCCCCC
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.309g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.632g/mol
Monoisotopic Mass:
428.309g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.4
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