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Home > Fluorides > 123560-47-4
123560-47-4 | 1,1'-Biphenyl, 4-ethoxy-2,3-difluoro-4'-(trans-4-pentylcyclohexyl)-
CAS No: 123560-47-4 Catalog No: AG000KSR MDL No:
Product Description
Catalog Number:
AG000KSR
Chemical Name:
1,1'-Biphenyl, 4-ethoxy-2,3-difluoro-4'-(trans-4-pentylcyclohexyl)-
CAS Number:
123560-47-4
Molecular Formula:
C25H32F2O
Molecular Weight:
386.5178
IUPAC Name:
1-ethoxy-2,3-difluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
InChI:
InChI=1S/C25H32F2O/c1-3-5-6-7-18-8-10-19(11-9-18)20-12-14-21(15-13-20)22-16-17-23(28-4-2)25(27)24(22)26/h12-19H,3-11H2,1-2H3
InChI Key:
DYYPQDVYNJNXDM-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(c(c1F)F)OCC
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.242g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.527g/mol
Monoisotopic Mass:
386.242g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9
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