| CAS Number | 1909316-11-5 |
| Catalog Number | AG01AULZ |
| Chemical Name | 5-bromo-6-hydroxy-2,3-dihydro-1H-indole-2,3-dione |
| IUPAC Name | 5-bromo-6-hydroxy-1H-indole-2,3-dione |
| InChI | InChI=1S/C8H4BrNO3/c9-4-1-3-5(2-6(4)11)10-8(13)7(3)12/h1-2,11H,(H,10,12,13) |
| InChI Key | CQWQAWKRPSQAMJ-UHFFFAOYSA-N |
| MDL Number | MFCD29762641 |
| Molecular Formula | C8H4BrNO3 |
| Molecular Weight | 242.0263 |
| SMILES | OC1=C(Br)C=C2C(NC(C2=O)=O)=C1 |
| Synonyms | 5-bromo-6-hydroxy-2,3-dihydro-1H-indole-2,3-dione,
1909316-11-5,
AKOS033816229,
ZINC307333120,
Z2235407292,
|
| Complexity | 268 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.937g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.028g/mol |
| Monoisotopic Mass | 240.937g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number