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663191-65-9 | 1-Azabicyclo[2.2.2]octane, 3-(1,2-benzisothiazol-3-yloxy)-
CAS No: 663191-65-9 Catalog No: AG006NGZ MDL No:
Product Description
Catalog Number:
AG006NGZ
Chemical Name:
1-Azabicyclo[2.2.2]octane, 3-(1,2-benzisothiazol-3-yloxy)-
CAS Number:
663191-65-9
Molecular Formula:
C14H16N2OS
Molecular Weight:
260.3546
IUPAC Name:
3-(1-azabicyclo[2.2.2]octan-3-yloxy)-1,2-benzothiazole
InChI:
InChI=1S/C14H16N2OS/c1-2-4-13-11(3-1)14(15-18-13)17-12-9-16-7-5-10(12)6-8-16/h1-4,10,12H,5-9H2
InChI Key:
FHBQJQOZXLTNAR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c(ns2)OC1CN2CCC1CC2
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.098g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.355g/mol
Monoisotopic Mass:
260.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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