| CAS Number | 349402-18-2 |
| Catalog Number | AG00CLV5(AGN-PC-0WOI36) |
| Chemical Name | N-(3-Methoxypropyl)-4-methyl-3-nitrobenzenesulfonamide |
| IUPAC Name | N-(3-methoxypropyl)-4-methyl-3-nitrobenzenesulfonamide |
| InChI | InChI=1S/C11H16N2O5S/c1-9-4-5-10(8-11(9)13(14)15)19(16,17)12-6-3-7-18-2/h4-5,8,12H,3,6-7H2,1-2H3 |
| InChI Key | DNBUBZRKFYCKPY-UHFFFAOYSA-N |
| MDL Number | MFCD02229286 |
| Molecular Formula | C11H16N2O5S |
| Molecular Weight | 288.3201 |
| SMILES | COCCCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C |
| Synonyms | N-(3-methoxypropyl)-4-methyl-3-nitrobenzenesulfonamide,
349402-18-2,
N-(3-Methoxy-propyl)-4-methyl-3-nitro-benzenesulfonamide,
AC1MJKZJ,
BAS 02190850,
ZINC4313640,
STL137236,
AKOS000383084,
MCULE-3233840228,
V5385,
K-7930,
AG-690/15432539,
3-nitro-N-(3-methoxypropyl)-4-methylbenzenesulfonamide,
C11H16N2O5S,
DNBUBZRKFYCKPY-UHFFFAOYSA-N,
CID3139062,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.318g/mol |
| Monoisotopic Mass | 288.078g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number