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Home > Nitro Compounds > 80303-91-9
80303-91-9 | piperazine, 1,4-bis[(3-nitrophenyl)sulfonyl]-
CAS No: 80303-91-9 Catalog No: AG005N2Q MDL No:
Product Description
Catalog Number:
AG005N2Q
Chemical Name:
piperazine, 1,4-bis[(3-nitrophenyl)sulfonyl]-
CAS Number:
80303-91-9
Molecular Formula:
C16H16N4O8S2
Molecular Weight:
456.4502
IUPAC Name:
1,4-bis[(3-nitrophenyl)sulfonyl]piperazine
InChI:
InChI=1S/C16H16N4O8S2/c21-19(22)13-3-1-5-15(11-13)29(25,26)17-7-9-18(10-8-17)30(27,28)16-6-2-4-14(12-16)20(23)24/h1-6,11-12H,7-10H2
InChI Key:
BNRSIRFDVAGMLK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCN(CC1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
NSC Number:
89445
Properties
Complexity:
776
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
456.041g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
456.444g/mol
Monoisotopic Mass:
456.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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