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Home > Nitro Compounds > 744241-86-9
744241-86-9 | 1-(2-methyl-5-nitrobenzenesulfonyl)piperazine
CAS No: 744241-86-9 Catalog No: AG019P1R MDL No:MFCD05267639
Product Description
Catalog Number:
AG019P1R
Chemical Name:
1-(2-methyl-5-nitrobenzenesulfonyl)piperazine
CAS Number:
744241-86-9
Molecular Formula:
C11H15N3O4S
Molecular Weight:
285.3195
MDL Number:
MFCD05267639
IUPAC Name:
1-(2-methyl-5-nitrophenyl)sulfonylpiperazine
InChI:
InChI=1S/C11H15N3O4S/c1-9-2-3-10(14(15)16)8-11(9)19(17,18)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3
InChI Key:
ZUSNOKZPJHEYAS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)N1CCNCC1)[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.318g/mol
Monoisotopic Mass:
285.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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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