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Home > Other Heterocycles > 89398-07-2
89398-07-2 | 3-Thia-7-azabicyclo[3.3.1]nonane, 7-(phenylmethyl)-, perchlorate (1:1)
CAS No: 89398-07-2 Catalog No: AG003WAW MDL No:
Product Description
Catalog Number:
AG003WAW
Chemical Name:
3-Thia-7-azabicyclo[3.3.1]nonane, 7-(phenylmethyl)-, perchlorate (1:1)
CAS Number:
89398-07-2
Molecular Formula:
C14H20ClNO4S
Molecular Weight:
333.8309
IUPAC Name:
7-benzyl-3-thia-7-azabicyclo[3.3.1]nonane;perchloric acid
InChI:
InChI=1S/C14H19NS.ClHO4/c1-2-4-12(5-3-1)7-15-8-13-6-14(9-15)11-16-10-13;2-1(3,4)5/h1-5,13-14H,6-11H2;(H,2,3,4,5)
InChI Key:
TXIGULLQJOBKIJ-UHFFFAOYSA-N
SMILES:
S1CC2CN(CC(C1)C2)Cc1ccccc1.O[Cl](=O)(=O)=O
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.08g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
333.827g/mol
Monoisotopic Mass:
333.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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