| CAS Number | 29092-31-7 |
| Catalog Number | AG00I5EF(AGN-PC-0WOHSM) |
| Chemical Name | 2-Nitro-4-sulfamoylbenzoic acid |
| IUPAC Name | 2-nitro-4-sulfamoylbenzoic acid |
| InChI | InChI=1S/C7H6N2O6S/c8-16(14,15)4-1-2-5(7(10)11)6(3-4)9(12)13/h1-3H,(H,10,11)(H2,8,14,15) |
| InChI Key | DGRCSZFTPTUQGS-UHFFFAOYSA-N |
| MDL Number | MFCD27981346 |
| Molecular Formula | C7H6N2O6S |
| Molecular Weight | 246.1973 |
| SMILES | [O-][N+](=O)c1cc(ccc1C(=O)O)S(=O)(=O)N |
| Synonyms | 2-nitro-4-sulfamoylbenzoic acid,
29092-31-7,
SCHEMBL9795946,
ZINC97756682,
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| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.193g/mol |
| Monoisotopic Mass | 245.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 152A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number