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Home > Nitro Compounds > 731003-76-2
731003-76-2 | 4-[3-nitro-4-(piperazin-1-yl)benzenesulfonyl]morpholine
CAS No: 731003-76-2 Catalog No: AG00ICCX MDL No:MFCD04625511
Product Description
Catalog Number:
AG00ICCX
Chemical Name:
4-[3-nitro-4-(piperazin-1-yl)benzenesulfonyl]morpholine
CAS Number:
731003-76-2
Molecular Formula:
C14H20N4O5S
Molecular Weight:
356.3974
MDL Number:
MFCD04625511
IUPAC Name:
4-(3-nitro-4-piperazin-1-ylphenyl)sulfonylmorpholine
InChI:
InChI=1S/C14H20N4O5S/c19-18(20)14-11-12(24(21,22)17-7-9-23-10-8-17)1-2-13(14)16-5-3-15-4-6-16/h1-2,11,15H,3-10H2
InChI Key:
OWLLIFOZCPRFGA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1N1CCNCC1)S(=O)(=O)N1CCOCC1
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.115g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.397g/mol
Monoisotopic Mass:
356.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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