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Home > Fluorides > 144675-85-4
144675-85-4 | [1,1'-Bicyclohexyl]-4-ol, 4'-propyl-4-(3,4,5-trifluorophenyl)-
CAS No: 144675-85-4 Catalog No: AG001JYX MDL No:
Product Description
Catalog Number:
AG001JYX
Chemical Name:
[1,1'-Bicyclohexyl]-4-ol, 4'-propyl-4-(3,4,5-trifluorophenyl)-
CAS Number:
144675-85-4
Molecular Formula:
C21H29F3O
Molecular Weight:
354.4496
IUPAC Name:
4-(4-propylcyclohexyl)-1-(3,4,5-trifluorophenyl)cyclohexan-1-ol
InChI:
InChI=1S/C21H29F3O/c1-2-3-14-4-6-15(7-5-14)16-8-10-21(25,11-9-16)17-12-18(22)20(24)19(23)13-17/h12-16,25H,2-11H2,1H3
InChI Key:
HZQHBFCHMSVIKM-UHFFFAOYSA-N
SMILES:
CCCC1CCC(CC1)C1CCC(CC1)(O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
401
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.217g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.457g/mol
Monoisotopic Mass:
354.217g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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