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Home > Fluorides > 1443354-18-4
1443354-18-4 | 2-[2-(3,4,5-Trifluoro-phenoxy)ethyl]-1,3-dioxane
CAS No: 1443354-18-4 Catalog No: AG01F9M2 MDL No:
Product Description
Catalog Number:
AG01F9M2
Chemical Name:
2-[2-(3,4,5-Trifluoro-phenoxy)ethyl]-1,3-dioxane
CAS Number:
1443354-18-4
Molecular Formula:
C12H13F3O3
Molecular Weight:
262.2250
IUPAC Name:
2-[2-(3,4,5-trifluorophenoxy)ethyl]-1,3-dioxane
InChI:
InChI=1S/C12H13F3O3/c13-9-6-8(7-10(14)12(9)15)16-5-2-11-17-3-1-4-18-11/h6-7,11H,1-5H2
InChI Key:
SJCXBUCVOKFQLO-UHFFFAOYSA-N
SMILES:
Fc1cc(OCCC2OCCCO2)cc(c1F)F
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.228g/mol
Monoisotopic Mass:
262.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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