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557767-02-9 | 1-Piperazineethanamine, 4-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS No: 557767-02-9 Catalog No: AG003910 MDL No:
Product Description
Catalog Number:
AG003910
Chemical Name:
1-Piperazineethanamine, 4-(7-nitro-2,1,3-benzoxadiazol-4-yl)-
CAS Number:
557767-02-9
Molecular Formula:
C12H16N6O3
Molecular Weight:
292.2938
IUPAC Name:
2-[4-(4-nitro-2,1,3-benzoxadiazol-7-yl)piperazin-1-yl]ethanamine
InChI:
InChI=1S/C12H16N6O3/c13-3-4-16-5-7-17(8-6-16)9-1-2-10(18(19)20)12-11(9)14-21-15-12/h1-2H,3-8,13H2
InChI Key:
NVZUWOYZGHZCGG-UHFFFAOYSA-N
SMILES:
NCCN1CCN(CC1)c1ccc(c2c1non2)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.128g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.299g/mol
Monoisotopic Mass:
292.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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