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Home > Nitro Compounds > 302552-68-7
302552-68-7 | Piperidine, 4-methyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]-
CAS No: 302552-68-7 Catalog No: AG002ZDK MDL No:
Product Description
Catalog Number:
AG002ZDK
Chemical Name:
Piperidine, 4-methyl-1-[(4-methyl-3-nitrophenyl)sulfonyl]-
CAS Number:
302552-68-7
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
IUPAC Name:
4-methyl-1-(4-methyl-3-nitrophenyl)sulfonylpiperidine
InChI:
InChI=1S/C13H18N2O4S/c1-10-5-7-14(8-6-10)20(18,19)12-4-3-11(2)13(9-12)15(16)17/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
WWZLBFAFCHQFSE-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
446
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:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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