| CAS Number | 37559-31-2 |
| Catalog Number | AG00D39Y(AGN-PC-0EFBWH) |
| Chemical Name | 5-Amino-2-nitrobenzenesulfonamide |
| IUPAC Name | 5-amino-2-nitrobenzenesulfonamide |
| InChI | InChI=1S/C6H7N3O4S/c7-4-1-2-5(9(10)11)6(3-4)14(8,12)13/h1-3H,7H2,(H2,8,12,13) |
| InChI Key | MLPYAHUTKYTLBU-UHFFFAOYSA-N |
| MDL Number | MFCD16688598 |
| Molecular Formula | C6H7N3O4S |
| Molecular Weight | 217.2025 |
| SMILES | NC1=CC=C(C(=C1)S(N)(=O)=O)[N+]([O-])=O |
| Synonyms | 5-amino-2-nitrobenzenesulfonamide,
37559-31-2,
MFCD16688598,
ZINC50649770,
5-amino-2-nitrobenzene-1-sulfonamide,
AKOS011424946,
AS-40449,
AJ-111597,
ST24044321,
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| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.199g/mol |
| Monoisotopic Mass | 217.016g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 140A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number