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102269-52-3 | 1-Azoniabicyclo[2.2.2]octane, 3-(4-chlorophenyl)-3-hydroxy-1-methyl-
CAS No: 102269-52-3 Catalog No: AG000734 MDL No:
Product Description
Catalog Number:
AG000734
Chemical Name:
1-Azoniabicyclo[2.2.2]octane, 3-(4-chlorophenyl)-3-hydroxy-1-methyl-
CAS Number:
102269-52-3
Molecular Formula:
C14H19ClNO+
Molecular Weight:
252.7598
IUPAC Name:
3-(4-chlorophenyl)-1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol
InChI:
InChI=1S/C14H19ClNO/c1-16-8-6-12(7-9-16)14(17,10-16)11-2-4-13(15)5-3-11/h2-5,12,17H,6-10H2,1H3/q+1
InChI Key:
VESZVEPWHSJNEL-UHFFFAOYSA-N
SMILES:
OC1(C[N+]2(C)CCC1CC2)c1ccc(cc1)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.116g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.762g/mol
Monoisotopic Mass:
252.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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