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Home > Bromides > 1289198-96-4
1289198-96-4 | 4-Piperidinecarboxamide, 1-(4-bromo-2-thiazolyl)-
CAS No: 1289198-96-4 Catalog No: AG000YIX MDL No:
Product Description
Catalog Number:
AG000YIX
Chemical Name:
4-Piperidinecarboxamide, 1-(4-bromo-2-thiazolyl)-
CAS Number:
1289198-96-4
Molecular Formula:
C9H12BrN3OS
Molecular Weight:
290.1801
IUPAC Name:
1-(4-bromo-1,3-thiazol-2-yl)piperidine-4-carboxamide
InChI:
InChI=1S/C9H12BrN3OS/c10-7-5-15-9(12-7)13-3-1-6(2-4-13)8(11)14/h5-6H,1-4H2,(H2,11,14)
InChI Key:
NEPQTVXDRWJSMP-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCN(CC1)c1scc(n1)Br
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.988g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.179g/mol
Monoisotopic Mass:
288.988g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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