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Home > Nitro Compounds > 1087784-42-6
1087784-42-6 | 4-(3-nitrobenzenesulfonyl)piperazin-2-one
CAS No: 1087784-42-6 Catalog No: AG019MW2 MDL No:MFCD11099556
Product Description
Catalog Number:
AG019MW2
Chemical Name:
4-(3-nitrobenzenesulfonyl)piperazin-2-one
CAS Number:
1087784-42-6
Molecular Formula:
C10H11N3O5S
Molecular Weight:
285.2764
MDL Number:
MFCD11099556
IUPAC Name:
4-(3-nitrophenyl)sulfonylpiperazin-2-one
InChI:
InChI=1S/C10H11N3O5S/c14-10-7-12(5-4-11-10)19(17,18)9-3-1-2-8(6-9)13(15)16/h1-3,6H,4-5,7H2,(H,11,14)
InChI Key:
OUPIGHVJMVXBJQ-UHFFFAOYSA-N
SMILES:
O=C1NCCN(C1)S(=O)(=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.042g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.274g/mol
Monoisotopic Mass:
285.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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