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Home > Fluorides > 138200-04-1
138200-04-1 | 1,1'-Biphenyl, 3-fluoro-4-[(6-methyloctyl)oxy]-4'-octyl-
CAS No: 138200-04-1 Catalog No: AG0018AG MDL No:
Product Description
Catalog Number:
AG0018AG
Chemical Name:
1,1'-Biphenyl, 3-fluoro-4-[(6-methyloctyl)oxy]-4'-octyl-
CAS Number:
138200-04-1
Molecular Formula:
C29H43FO
Molecular Weight:
426.6495
IUPAC Name:
2-fluoro-1-(6-methyloctoxy)-4-(4-octylphenyl)benzene
InChI:
InChI=1S/C29H43FO/c1-4-6-7-8-9-12-15-25-16-18-26(19-17-25)27-20-21-29(28(30)23-27)31-22-13-10-11-14-24(3)5-2/h16-21,23-24H,4-15,22H2,1-3H3
InChI Key:
BMYUOFKZSJANKA-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1ccc(cc1)c1ccc(c(c1)F)OCCCCCC(CC)C
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.33g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.66g/mol
Monoisotopic Mass:
426.33g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3
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