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Home > Fluorides > 1443328-27-5
1443328-27-5 | 2-[2-(1,3-Dioxan-2-yl)ethoxy]benzotrifluoride
CAS No: 1443328-27-5 Catalog No: AG01FAE4 MDL No:
Product Description
Catalog Number:
AG01FAE4
Chemical Name:
2-[2-(1,3-Dioxan-2-yl)ethoxy]benzotrifluoride
CAS Number:
1443328-27-5
Molecular Formula:
C13H15F3O3
Molecular Weight:
276.2516
IUPAC Name:
2-[2-[2-(trifluoromethyl)phenoxy]ethyl]-1,3-dioxane
InChI:
InChI=1S/C13H15F3O3/c14-13(15,16)10-4-1-2-5-11(10)17-9-6-12-18-7-3-8-19-12/h1-2,4-5,12H,3,6-9H2
InChI Key:
NZYQOOZSRNXPOC-UHFFFAOYSA-N
SMILES:
FC(c1ccccc1OCCC1OCCCO1)(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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