| CAS Number | 1360886-58-3 |
| Catalog Number | AG01DVX5 |
| Chemical Name | 5-bromo-7-methoxy-2,3-dihydro-1H-indol-2-one |
| IUPAC Name | 5-bromo-7-methoxy-1,3-dihydroindol-2-one |
| InChI | InChI=1S/C9H8BrNO2/c1-13-7-4-6(10)2-5-3-8(12)11-9(5)7/h2,4H,3H2,1H3,(H,11,12) |
| InChI Key | BKUJJUFNTYIDPI-UHFFFAOYSA-N |
| MDL Number | MFCD22556855 |
| Molecular Formula | C9H8BrNO2 |
| Molecular Weight | 242.0693 |
| SMILES | O=C1NC2=C(C=C(Br)C=C2OC)C1 |
| Synonyms | 5-Bromo-7-methoxyindolin-2-one,
1360886-58-3,
5-bromo-7-methoxy-2,3-dihydro-1H-indol-2-one,
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| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.97384g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.07g/mol |
| Monoisotopic Mass | 240.97384g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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