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Home > Bromides > 1443349-68-5
1443349-68-5 | 2-[2-(4-Bromo-3-fluoro-phenoxy)ethyl]-1,3-dioxane
CAS No: 1443349-68-5 Catalog No: AG01F9CB MDL No:
Product Description
Catalog Number:
AG01F9CB
Chemical Name:
2-[2-(4-Bromo-3-fluoro-phenoxy)ethyl]-1,3-dioxane
CAS Number:
1443349-68-5
Molecular Formula:
C12H14BrFO3
Molecular Weight:
305.1402
IUPAC Name:
2-[2-(4-bromo-3-fluorophenoxy)ethyl]-1,3-dioxane
InChI:
InChI=1S/C12H14BrFO3/c13-10-3-2-9(8-11(10)14)15-7-4-12-16-5-1-6-17-12/h2-3,8,12H,1,4-7H2
InChI Key:
LOLXXNPCMUNHCT-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1F)OCCC1OCCCO1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.011g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.143g/mol
Monoisotopic Mass:
304.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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