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Home > Fluorides > 139625-86-8
139625-86-8 | 1,1'-Biphenyl, 3-fluoro-4'-methyl-4-(octyloxy)-
CAS No: 139625-86-8 Catalog No: AG001BEY MDL No:
Product Description
Catalog Number:
AG001BEY
Chemical Name:
1,1'-Biphenyl, 3-fluoro-4'-methyl-4-(octyloxy)-
CAS Number:
139625-86-8
Molecular Formula:
C21H27FO
Molecular Weight:
314.4369
IUPAC Name:
2-fluoro-4-(4-methylphenyl)-1-octoxybenzene
InChI:
InChI=1S/C21H27FO/c1-3-4-5-6-7-8-15-23-21-14-13-19(16-20(21)22)18-11-9-17(2)10-12-18/h9-14,16H,3-8,15H2,1-2H3
InChI Key:
USUYCTSMEVCYPL-UHFFFAOYSA-N
SMILES:
CCCCCCCCOc1ccc(cc1F)c1ccc(cc1)C
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.205g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.444g/mol
Monoisotopic Mass:
314.205g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
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