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Home > Fluorides > 868379-49-1
868379-49-1 | 1,1'-Biphenyl, 4-ethoxy-3-fluoro-4'-(trans-4-propylcyclohexyl)-
CAS No: 868379-49-1 Catalog No: AG004MEU MDL No:
Product Description
Catalog Number:
AG004MEU
Chemical Name:
1,1'-Biphenyl, 4-ethoxy-3-fluoro-4'-(trans-4-propylcyclohexyl)-
CAS Number:
868379-49-1
Molecular Formula:
C23H29FO
Molecular Weight:
340.4742
IUPAC Name:
1-ethoxy-2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
InChI:
InChI=1S/C23H29FO/c1-3-5-17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-15-23(25-4-2)22(24)16-21/h10-18H,3-9H2,1-2H3
InChI Key:
SEKISNNOYDQKIF-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(c(c1)F)OCC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.22g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.482g/mol
Monoisotopic Mass:
340.22g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.9
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