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1443354-87-7

1443354-87-7 | 2-[2-(3-Bromo-6-fluoro-phenoxy)ethyl]-1,3-dioxane

CAS No: 1443354-87-7 Catalog No: AG01F9CN MDL No:

Product Description

Catalog Number:
AG01F9CN
Chemical Name:
2-[2-(3-Bromo-6-fluoro-phenoxy)ethyl]-1,3-dioxane
CAS Number:
1443354-87-7
Molecular Formula:
C12H14BrFO3
Molecular Weight:
305.1402
IUPAC Name:
2-[2-(5-bromo-2-fluorophenoxy)ethyl]-1,3-dioxane
InChI:
InChI=1S/C12H14BrFO3/c13-9-2-3-10(14)11(8-9)15-7-4-12-16-5-1-6-17-12/h2-3,8,12H,1,4-7H2
InChI Key:
UBRPTFOYBBOBGV-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1OCCC1OCCCO1)Br

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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