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Home > Nitro Compounds > 91619-31-7
91619-31-7 | 1-((3-Nitrophenyl)sulfonyl)piperidine
CAS No: 91619-31-7 Catalog No: AG003CS0 MDL No:MFCD00625662
Product Description
Catalog Number:
AG003CS0
Chemical Name:
1-((3-Nitrophenyl)sulfonyl)piperidine
CAS Number:
91619-31-7
Molecular Formula:
C11H14N2O4S
Molecular Weight:
270.3049
MDL Number:
MFCD00625662
IUPAC Name:
1-(3-nitrophenyl)sulfonylpiperidine
InChI:
InChI=1S/C11H14N2O4S/c14-13(15)10-5-4-6-11(9-10)18(16,17)12-7-2-1-3-8-12/h4-6,9H,1-3,7-8H2
InChI Key:
BZBNTCYTNHCSJU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)N1CCCCC1
NSC Number:
175845
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.303g/mol
Monoisotopic Mass:
270.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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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