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Home > Nitro Compounds > 428502-54-9
428502-54-9 | 1-(furan-2-carbonyl)-4-(2-nitrobenzenesulfonyl)piperazine
CAS No: 428502-54-9 Catalog No: AG00J03M MDL No:MFCD00955282
Product Description
Catalog Number:
AG00J03M
Chemical Name:
1-(furan-2-carbonyl)-4-(2-nitrobenzenesulfonyl)piperazine
CAS Number:
428502-54-9
Molecular Formula:
C15H15N3O6S
Molecular Weight:
365.3611
MDL Number:
MFCD00955282
IUPAC Name:
furan-2-yl-[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methanone
InChI:
InChI=1S/C15H15N3O6S/c19-15(13-5-3-11-24-13)16-7-9-17(10-8-16)25(22,23)14-6-2-1-4-12(14)18(20)21/h1-6,11H,7-10H2
InChI Key:
BMSMDSMCIKEEQB-UHFFFAOYSA-N
SMILES:
O=C(c1ccco1)N1CCN(CC1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.36g/mol
Monoisotopic Mass:
365.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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