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854934-97-7 | 1-Azabicyclo[2.2.2]octane, 3-(4-iodophenoxy)-
CAS No: 854934-97-7 Catalog No: AG004N83 MDL No:
Product Description
Catalog Number:
AG004N83
Chemical Name:
1-Azabicyclo[2.2.2]octane, 3-(4-iodophenoxy)-
CAS Number:
854934-97-7
Molecular Formula:
C13H16INO
Molecular Weight:
329.1767
IUPAC Name:
3-(4-iodophenoxy)-1-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H16INO/c14-11-1-3-12(4-2-11)16-13-9-15-7-5-10(13)6-8-15/h1-4,10,13H,5-9H2
InChI Key:
CGQMKTZPTXMPGJ-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)OC1CN2CCC1CC2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.028g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.181g/mol
Monoisotopic Mass:
329.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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