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Home > Other Heterocycles > 1135000-80-4
1135000-80-4 | 3-(Phenylsulfonyl)-8-azabicyclo[3.2.1]octane hydrochloride
CAS No: 1135000-80-4 Catalog No: AG01ARYE MDL No:MFCD22420556
Product Description
Catalog Number:
AG01ARYE
Chemical Name:
3-(Phenylsulfonyl)-8-azabicyclo[3.2.1]octane hydrochloride
CAS Number:
1135000-80-4
Molecular Formula:
C13H18ClNO2S
Molecular Weight:
287.8055
MDL Number:
MFCD22420556
IUPAC Name:
3-(benzenesulfonyl)-8-azabicyclo[3.2.1]octane;hydrochloride
InChI:
InChI=1S/C13H17NO2S.ClH/c15-17(16,12-4-2-1-3-5-12)13-8-10-6-7-11(9-13)14-10;/h1-5,10-11,13-14H,6-9H2;1H
InChI Key:
JNSOFXATMCFVBK-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccccc1)C1CC2CCC(C1)N2.Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.075g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
287.802g/mol
Monoisotopic Mass:
287.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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