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Home > Fluorides > 1443336-50-2
1443336-50-2 | 3-[2-(1,3-Dioxan-2-yl)ethoxy]benzotrifluoride
CAS No: 1443336-50-2 Catalog No: AG01FAEF MDL No:
Product Description
Catalog Number:
AG01FAEF
Chemical Name:
3-[2-(1,3-Dioxan-2-yl)ethoxy]benzotrifluoride
CAS Number:
1443336-50-2
Molecular Formula:
C13H15F3O3
Molecular Weight:
276.2516
IUPAC Name:
2-[2-[3-(trifluoromethyl)phenoxy]ethyl]-1,3-dioxane
InChI:
InChI=1S/C13H15F3O3/c14-13(15,16)10-3-1-4-11(9-10)17-8-5-12-18-6-2-7-19-12/h1,3-4,9,12H,2,5-8H2
InChI Key:
XKLXHFGFNDORLB-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)OCCC1OCCCO1)(F)F
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.255g/mol
Monoisotopic Mass:
276.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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