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137-48-4 | Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
CAS No: 137-48-4 Catalog No: AG0012P9 MDL No:MFCD00035884
Product Description
Catalog Number:
AG0012P9
Chemical Name:
Benzenesulfonamide, 4-chloro-N-methyl-3-nitro-
CAS Number:
137-48-4
Molecular Formula:
C7H7ClN2O4S
Molecular Weight:
250.6595
MDL Number:
MFCD00035884
IUPAC Name:
4-chloro-N-methyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3
InChI Key:
UMNGEAKUUOJPAX-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
EC Number:
205-296-7
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
250.653g/mol
Monoisotopic Mass:
249.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Nitrobenzene compounds inhibit expression of VCAM-1. | Bioorganic & medicinal chemistry letters 20010723 |
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