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Home > Other Heterocycles > 745066-21-1
745066-21-1 | 3-[(4-methoxyphenyl)sulfanyl]-8-azabicyclo[3.2.1]octane
CAS No: 745066-21-1 Catalog No: AG01APEL MDL No:MFCD29034689
Product Description
Catalog Number:
AG01APEL
Chemical Name:
3-[(4-methoxyphenyl)sulfanyl]-8-azabicyclo[3.2.1]octane
CAS Number:
745066-21-1
MDL Number:
MFCD29034689
IUPAC Name:
3-(4-methoxyphenyl)sulfanyl-8-azabicyclo[3.2.1]octane
InChI:
InChI=1S/C14H19NOS/c1-16-12-4-6-13(7-5-12)17-14-8-10-2-3-11(9-14)15-10/h4-7,10-11,14-15H,2-3,8-9H2,1H3
InChI Key:
PXAQAWOBYPSWSY-UHFFFAOYSA-N
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.119g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.372g/mol
Monoisotopic Mass:
249.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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