| CAS Number | 31591-39-6 |
| Catalog Number | AG01E92O(AGN-PC-00O6OK) |
| Chemical Name | 2-Oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide |
| IUPAC Name | 2-oxo-3H-1,3-benzoxazole-5-sulfonamide |
| InChI | InChI=1S/C7H6N2O4S/c8-14(11,12)4-1-2-6-5(3-4)9-7(10)13-6/h1-3H,(H,9,10)(H2,8,11,12) |
| InChI Key | ZLNHEZVPPXSILS-UHFFFAOYSA-N |
| MDL Number | MFCD24388285 |
| Molecular Formula | C7H6N2O4S |
| Molecular Weight | 214.1985 |
| SMILES | NS(C1=CC2=C(OC(N2)=O)C=C1)(=O)=O |
| Synonyms | 2-oxo-2,3-dihydrobenzo[d]oxazole-5-sulfonamide,
2-oxo-2,3-dihydro-1,3-benzoxazole-5-sulfonamide,
31591-39-6,
SCHEMBL11216223,
ZINC34165278,
AKOS023258449,
2-Hydroxybenzo[d]oxazole-5-sulfonamide,
Z45415627,
F2158-2248,
N/A,
|
| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.195g/mol |
| Monoisotopic Mass | 214.005g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number