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89407-56-7

89407-56-7 | [1,1'-Bicyclohexyl]-4-ol, 4-(2,4-difluorophenyl)-4'-pentyl-

CAS No: 89407-56-7 Catalog No: AG003VSL MDL No:

Product Description

Catalog Number:
AG003VSL
Chemical Name:
[1,1'-Bicyclohexyl]-4-ol, 4-(2,4-difluorophenyl)-4'-pentyl-
CAS Number:
89407-56-7
Molecular Formula:
C23H34F2O
Molecular Weight:
364.5123
IUPAC Name:
1-(2,4-difluorophenyl)-4-(4-pentylcyclohexyl)cyclohexan-1-ol
InChI:
InChI=1S/C23H34F2O/c1-2-3-4-5-17-6-8-18(9-7-17)19-12-14-23(26,15-13-19)21-11-10-20(24)16-22(21)25/h10-11,16-19,26H,2-9,12-15H2,1H3
InChI Key:
VUJLPXCKHRFGNN-UHFFFAOYSA-N
SMILES:
CCCCCC1CCC(CC1)C1CCC(CC1)(O)c1ccc(cc1F)F

Properties

Complexity:
410  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.258g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
364.521g/mol
Monoisotopic Mass:
364.258g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7  

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