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Home > Fluorides > 133058-92-1
133058-92-1 | 1,3-Dioxane, 2-(4-fluorophenyl)-5-(trans-4-propylcyclohexyl)-, trans-
CAS No: 133058-92-1 Catalog No: AG0011L0 MDL No:
Product Description
Catalog Number:
AG0011L0
Chemical Name:
1,3-Dioxane, 2-(4-fluorophenyl)-5-(trans-4-propylcyclohexyl)-, trans-
CAS Number:
133058-92-1
Molecular Formula:
C19H27FO2
Molecular Weight:
306.4149
IUPAC Name:
2-(4-fluorophenyl)-5-(4-propylcyclohexyl)-1,3-dioxane
InChI:
InChI=1S/C19H27FO2/c1-2-3-14-4-6-15(7-5-14)17-12-21-19(22-13-17)16-8-10-18(20)11-9-16/h8-11,14-15,17,19H,2-7,12-13H2,1H3
InChI Key:
ZVSLXSYFQAWLGU-UHFFFAOYSA-N
SMILES:
CCC[C@@H]1CC[C@H](CC1)[C@@H]1CO[C@H](OC1)c1ccc(cc1)F
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.2g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.421g/mol
Monoisotopic Mass:
306.2g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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