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Home > Other Heterocycles > 138740-66-6
138740-66-6 | 1-Azabicyclo[2.2.2]octane, 3-phenoxy-
CAS No: 138740-66-6 Catalog No: AG0019G3 MDL No:
Product Description
Catalog Number:
AG0019G3
Chemical Name:
1-Azabicyclo[2.2.2]octane, 3-phenoxy-
CAS Number:
138740-66-6
Molecular Formula:
C13H17NO
Molecular Weight:
203.2802
IUPAC Name:
3-phenoxy-1-azabicyclo[2.2.2]octane
InChI:
InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-10-14-8-6-11(13)7-9-14/h1-5,11,13H,6-10H2
InChI Key:
NTGFWOVUWQMZBI-UHFFFAOYSA-N
SMILES:
C1CN2CCC1C(C2)Oc1ccccc1
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.285g/mol
Monoisotopic Mass:
203.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
12.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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