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Home > Fluorides > 141778-48-5
141778-48-5 | 1,1'-Biphenyl, 2-fluoro-4-octyl-4'-[(4-octylphenyl)methoxy]-
CAS No: 141778-48-5 Catalog No: AG001H12 MDL No:
Product Description
Catalog Number:
AG001H12
Chemical Name:
1,1'-Biphenyl, 2-fluoro-4-octyl-4'-[(4-octylphenyl)methoxy]-
CAS Number:
141778-48-5
Molecular Formula:
C35H47FO
Molecular Weight:
502.7455
IUPAC Name:
2-fluoro-4-octyl-1-[4-[(4-octylphenyl)methoxy]phenyl]benzene
InChI:
InChI=1S/C35H47FO/c1-3-5-7-9-11-13-15-29-17-19-31(20-18-29)28-37-33-24-22-32(23-25-33)34-26-21-30(27-35(34)36)16-14-12-10-8-6-4-2/h17-27H,3-16,28H2,1-2H3
InChI Key:
YPEOAJHJAPVRNF-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)COc1ccc(cc1)c1ccc(cc1F)CCCCCCCC
Properties
Complexity:
533
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
502.361g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.758g/mol
Monoisotopic Mass:
502.361g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.2
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