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Home > Nitro Compounds > 13326-27-7
13326-27-7 | Ethanone, 1-[4-(5-nitro-2-thiazolyl)-1-piperazinyl]-
CAS No: 13326-27-7 Catalog No: AG0014HS MDL No:MFCD26960619
Product Description
Catalog Number:
AG0014HS
Chemical Name:
Ethanone, 1-[4-(5-nitro-2-thiazolyl)-1-piperazinyl]-
CAS Number:
13326-27-7
Molecular Formula:
C9H12N4O3S
Molecular Weight:
256.2816
MDL Number:
MFCD26960619
IUPAC Name:
1-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]ethanone
InChI:
InChI=1S/C9H12N4O3S/c1-7(14)11-2-4-12(5-3-11)9-10-6-8(17-9)13(15)16/h6H,2-5H2,1H3
InChI Key:
SRAGSPNJULICDG-UHFFFAOYSA-N
SMILES:
CC(=O)N1CCN(CC1)c1ncc(s1)[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.063g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.28g/mol
Monoisotopic Mass:
256.063g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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