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138200-10-9 | 1,1'-Biphenyl, 3,3'-difluoro-4-[(6-methyloctyl)oxy]-4'-undecyl-
CAS No: 138200-10-9 Catalog No: AG0018AF MDL No:
Product Description
Catalog Number:
AG0018AF
Chemical Name:
1,1'-Biphenyl, 3,3'-difluoro-4-[(6-methyloctyl)oxy]-4'-undecyl-
CAS Number:
138200-10-9
Molecular Formula:
C32H48F2O
Molecular Weight:
486.7197
IUPAC Name:
2-fluoro-4-[3-fluoro-4-(6-methyloctoxy)phenyl]-1-undecylbenzene
InChI:
InChI=1S/C32H48F2O/c1-4-6-7-8-9-10-11-12-15-18-27-19-20-28(24-30(27)33)29-21-22-32(31(34)25-29)35-23-16-13-14-17-26(3)5-2/h19-22,24-26H,4-18,23H2,1-3H3
InChI Key:
XCKLCCPGTDWBGA-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1ccc(cc1F)c1ccc(c(c1)F)OCCCCCC(CC)C
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
486.367g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
486.732g/mol
Monoisotopic Mass:
486.367g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
13.1
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