Home Nitros 5-nitro-6-(1,3-thiazol-5-yl)piperidin-2-one

5-nitro-6-(1,3-thiazol-5-yl)piperidin-2-one

CAS No.:
1803571-10-9
Catalog Number:
AG01B9YZ
Molecular Formula:
C8H9N3O3S
Molecular Weight:
227.2404
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Product Description
Catalog Number:
AG01B9YZ
Chemical Name:
5-nitro-6-(1,3-thiazol-5-yl)piperidin-2-one
CAS Number:
1803571-10-9
Molecular Formula:
C8H9N3O3S
Molecular Weight:
227.2404
MDL Number:
MFCD28397447
IUPAC Name:
5-nitro-6-(1,3-thiazol-5-yl)piperidin-2-one
InChI:
InChI=1S/C8H9N3O3S/c12-7-2-1-5(11(13)14)8(10-7)6-3-9-4-15-6/h3-5,8H,1-2H2,(H,10,12)
InChI Key:
VKUDRTKQBNTQJJ-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)c1cncs1)[N+](=O)[O-]
Properties
Complexity:
281  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.036g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
227.238g/mol
Monoisotopic Mass:
227.036g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties