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127-53-7 | Benzenesulfonamide, 4-chloro-N,N-diethyl-3-nitro-
CAS No: 127-53-7 Catalog No: AG000WIS MDL No:MFCD00447239
Product Description
Catalog Number:
AG000WIS
Chemical Name:
Benzenesulfonamide, 4-chloro-N,N-diethyl-3-nitro-
CAS Number:
127-53-7
Molecular Formula:
C10H13ClN2O4S
Molecular Weight:
292.7392
MDL Number:
MFCD00447239
IUPAC Name:
4-chloro-N,N-diethyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H13ClN2O4S/c1-3-12(4-2)18(16,17)8-5-6-9(11)10(7-8)13(14)15/h5-7H,3-4H2,1-2H3
InChI Key:
PQUNWYHOMQGOAT-UHFFFAOYSA-N
SMILES:
CCN(S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl)CC
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.028g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.734g/mol
Monoisotopic Mass:
292.028g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Nitrobenzene compounds inhibit expression of VCAM-1. | Bioorganic & medicinal chemistry letters 20010723 |
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