| CAS Number | 99365-41-0 |
| Catalog Number | AG01A58W(AGN-PC-0OP4US) |
| Chemical Name | 6-Bromo-2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde |
| IUPAC Name | 6-bromo-2-oxo-1,3-dihydroindole-3-carbaldehyde |
| InChI | InChI=1S/C9H6BrNO2/c10-5-1-2-6-7(4-12)9(13)11-8(6)3-5/h1-4,7H,(H,11,13) |
| InChI Key | KOINVBRHPOLJCG-UHFFFAOYSA-N |
| MDL Number | MFCD20528307 |
| Molecular Formula | C9H6BrNO2 |
| Molecular Weight | 240.0534 |
| SMILES | O=CC1C(NC2=C1C=CC(Br)=C2)=O |
| Synonyms | 6-bromo-2-oxo-2,3-dihydro-1H-indole-3-carbaldehyde,
99365-41-0,
6-bromo-2-oxoindoline-3-carbaldehyde,
AKOS023820081,
NE50178,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.958g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.056g/mol |
| Monoisotopic Mass | 238.958g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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