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Home > Nitro Compounds > 331256-11-2
331256-11-2 | 2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine
CAS No: 331256-11-2 Catalog No: AG00IX1E MDL No:MFCD00577628
Product Description
Catalog Number:
AG00IX1E
Chemical Name:
2-ethyl-1-(2-nitrobenzenesulfonyl)piperidine
CAS Number:
331256-11-2
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD00577628
IUPAC Name:
2-ethyl-1-(2-nitrophenyl)sulfonylpiperidine
InChI:
InChI=1S/C13H18N2O4S/c1-2-11-7-5-6-10-14(11)20(18,19)13-9-4-3-8-12(13)15(16)17/h3-4,8-9,11H,2,5-7,10H2,1H3
InChI Key:
FTPHIBITRUCWJT-UHFFFAOYSA-N
SMILES:
CCC1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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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