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1822827-99-5

1822827-99-5 | (8-AZABICYCLO[3.2.1]OCTAN-3-YL)(THIOPHEN-3-YL)METHANONE HYDROCHLORIDE

CAS No: 1822827-99-5 Catalog No: AG01AS64 MDL No:MFCD28166040

Product Description

Catalog Number:
AG01AS64
Chemical Name:
(8-AZABICYCLO[3.2.1]OCTAN-3-YL)(THIOPHEN-3-YL)METHANONE HYDROCHLORIDE
CAS Number:
1822827-99-5
Molecular Formula:
C12H16ClNOS
Molecular Weight:
257.7795
MDL Number:
MFCD28166040
IUPAC Name:
8-azabicyclo[3.2.1]octan-3-yl(thiophen-3-yl)methanone;hydrochloride
InChI:
InChI=1S/C12H15NOS.ClH/c14-12(8-3-4-15-7-8)9-5-10-1-2-11(6-9)13-10;/h3-4,7,9-11,13H,1-2,5-6H2;1H
InChI Key:
XMMLGQXCVWFOFM-UHFFFAOYSA-N
SMILES:
O=C(c1cscc1)C1CC2CCC(C1)N2.Cl

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.064g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
257.776g/mol
Monoisotopic Mass:
257.064g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0

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