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91460-66-1 | Cyclohexanol, 1-(3,4-difluorophenyl)-4-octyl-
CAS No: 91460-66-1 Catalog No: AG006AAI MDL No:
Product Description
Catalog Number:
AG006AAI
Chemical Name:
Cyclohexanol, 1-(3,4-difluorophenyl)-4-octyl-
CAS Number:
91460-66-1
Molecular Formula:
C20H30F2O
Molecular Weight:
324.4484
IUPAC Name:
1-(3,4-difluorophenyl)-4-octylcyclohexan-1-ol
InChI:
InChI=1S/C20H30F2O/c1-2-3-4-5-6-7-8-16-11-13-20(23,14-12-16)17-9-10-18(21)19(22)15-17/h9-10,15-16,23H,2-8,11-14H2,1H3
InChI Key:
OSOZCEJDQDERKG-UHFFFAOYSA-N
SMILES:
CCCCCCCCC1CCC(CC1)(O)c1ccc(c(c1)F)F
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.226g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
324.456g/mol
Monoisotopic Mass:
324.226g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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