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Home > Fluorides > 145131-04-0
145131-04-0 | 1,1'-Biphenyl, 3,4,5-trifluoro-4'-[2-(trans-4-propylcyclohexyl)ethyl]-
CAS No: 145131-04-0 Catalog No: AG001KLJ MDL No:
Product Description
Catalog Number:
AG001KLJ
Chemical Name:
1,1'-Biphenyl, 3,4,5-trifluoro-4'-[2-(trans-4-propylcyclohexyl)ethyl]-
CAS Number:
145131-04-0
Molecular Formula:
C23H27F3
Molecular Weight:
360.4557
IUPAC Name:
1,2,3-trifluoro-5-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]benzene
InChI:
InChI=1S/C23H27F3/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-12-19(13-11-18)20-14-21(24)23(26)22(25)15-20/h10-17H,2-9H2,1H3
InChI Key:
DXMHJOLUXKCOPU-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)CCc1ccc(cc1)c1cc(F)c(c(c1)F)F
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.464g/mol
Monoisotopic Mass:
360.206g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.7
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