| CAS Number | 74451-73-3 |
| Catalog Number | AG01BE4R |
| Chemical Name | Methyl 4-bromo-3-sulfamoylbenzoate |
| IUPAC Name | methyl 4-bromo-3-sulfamoylbenzoate |
| InChI | InChI=1S/C8H8BrNO4S/c1-14-8(11)5-2-3-6(9)7(4-5)15(10,12)13/h2-4H,1H3,(H2,10,12,13) |
| InChI Key | SCPDCYHHHULFEM-UHFFFAOYSA-N |
| MDL Number | MFCD18205814 |
| Molecular Formula | C8H8BrNO4S |
| Molecular Weight | 294.1224 |
| SMILES | COC(C1=CC(S(N)(=O)=O)=C(Br)C=C1)=O |
| Synonyms | methyl 4-bromo-3-sulfamoylbenzoate,
74451-73-3,
SCHEMBL9084469,
ZINC46384846,
AKOS009471605,
NE52721,
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| 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
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