| CAS Number | 1909319-34-1 |
| Catalog Number | AG01C1P4 |
| Chemical Name | methyl 2-nitro-4-sulfamoylbenzoate |
| IUPAC Name | methyl 2-nitro-4-sulfamoylbenzoate |
| InChI | InChI=1S/C8H8N2O6S/c1-16-8(11)6-3-2-5(17(9,14)15)4-7(6)10(12)13/h2-4H,1H3,(H2,9,14,15) |
| InChI Key | NDQSHPHENRIJJY-UHFFFAOYSA-N |
| MDL Number | MFCD29762669 |
| Molecular Formula | C8H8N2O6S |
| Molecular Weight | 260.2239 |
| SMILES | COC(C1=C([N+]([O-])=O)C=C(S(N)(=O)=O)C=C1)=O |
| Synonyms | methyl 2-nitro-4-sulfamoylbenzoate,
1909319-34-1,
ZINC328579522,
|
| Complexity | 409 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.22g/mol |
| Monoisotopic Mass | 260.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 141A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number