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Home > Nitro Compounds > 6335-26-8
6335-26-8 | N,N-Diethyl-3-nitrobenzenesulfonamide
CAS No: 6335-26-8 Catalog No: AG003SJ3 MDL No:MFCD02918975
Product Description
Catalog Number:
AG003SJ3
Chemical Name:
N,N-Diethyl-3-nitrobenzenesulfonamide
CAS Number:
6335-26-8
Molecular Formula:
C10H14N2O4S
Molecular Weight:
258.2942
MDL Number:
MFCD02918975
IUPAC Name:
N,N-diethyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H14N2O4S/c1-3-11(4-2)17(15,16)10-7-5-6-9(8-10)12(13)14/h5-8H,3-4H2,1-2H3
InChI Key:
HOGKOBQIINJDJM-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1cccc(c1)[N+](=O)[O-])CC
NSC Number:
29052
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.292g/mol
Monoisotopic Mass:
258.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Nitrobenzene compounds inhibit expression of VCAM-1. | Bioorganic & medicinal chemistry letters 20010723 |
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