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137-47-3 | Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
CAS No: 137-47-3 Catalog No: AG0012O7 MDL No:MFCD00088651
Product Description
Catalog Number:
AG0012O7
Chemical Name:
Benzenesulfonamide, 4-chloro-N,N-dimethyl-3-nitro-
CAS Number:
137-47-3
Molecular Formula:
C8H9ClN2O4S
Molecular Weight:
264.6861
MDL Number:
MFCD00088651
IUPAC Name:
4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C8H9ClN2O4S/c1-10(2)16(14,15)6-3-4-7(9)8(5-6)11(12)13/h3-5H,1-2H3
InChI Key:
HBTAOSGHCXUEKI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1Cl)S(=O)(=O)N(C)C
EC Number:
205-295-1
NSC Number:
231629
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.997g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.68g/mol
Monoisotopic Mass:
263.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Nitrobenzene compounds inhibit expression of VCAM-1. | Bioorganic & medicinal chemistry letters 20010723 |
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