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Home > Nitro Compounds > 400066-89-9
400066-89-9 | 1-methanesulfonyl-4-(2-nitrophenyl)piperazine
CAS No: 400066-89-9 Catalog No: AG00IR65 MDL No:MFCD02628116
Product Description
Catalog Number:
AG00IR65
Chemical Name:
1-methanesulfonyl-4-(2-nitrophenyl)piperazine
CAS Number:
400066-89-9
Molecular Formula:
C11H15N3O4S
Molecular Weight:
285.3195
MDL Number:
MFCD02628116
IUPAC Name:
1-methylsulfonyl-4-(2-nitrophenyl)piperazine
InChI:
InChI=1S/C11H15N3O4S/c1-19(17,18)13-8-6-12(7-9-13)10-4-2-3-5-11(10)14(15)16/h2-5H,6-9H2,1H3
InChI Key:
IAMKUCQRBIIMCL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1N1CCN(CC1)S(=O)(=O)C
Properties
Complexity:
420
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:
0
Isotope Atom Count:
0
Molecular Weight:
285.318g/mol
Monoisotopic Mass:
285.078g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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