| CAS Number | 1343983-13-0 |
| Catalog Number | AG01A1YY |
| Chemical Name | methyl 3-bromo-5-sulfamoylbenzoate |
| IUPAC Name | methyl 3-bromo-5-sulfamoylbenzoate |
| InChI | InChI=1S/C8H8BrNO4S/c1-14-8(11)5-2-6(9)4-7(3-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13) |
| InChI Key | FZNAQWBSGZYMQM-UHFFFAOYSA-N |
| MDL Number | MFCD18205832 |
| Molecular Formula | C8H8BrNO4S |
| Molecular Weight | 294.1224 |
| SMILES | COC(C1=CC(S(N)(=O)=O)=CC(Br)=C1)=O |
| Synonyms | methyl 3-bromo-5-sulfamoylbenzoate,
1343983-13-0,
SCHEMBL19518886,
ZINC82164497,
AKOS013152288,
NE23941,
|
| Complexity | 337 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.119g/mol |
| Monoisotopic Mass | 292.936g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number