| CAS Number | 374818-58-3 |
| Catalog Number | AG0039C9(AGN-PC-0MVPGA) |
| Chemical Name | 3-(5-Fluoro-1H-indol-3-yl)-1H-pyrrole-2,5-dione |
| IUPAC Name | 3-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione |
| InChI | InChI=1S/C12H7FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-5,14H,(H,15,16,17) |
| InChI Key | DGNXMTOBIIMAMH-UHFFFAOYSA-N |
| MDL Number | MFCD28396488 |
| Molecular Formula | C12H7FN2O2 |
| Molecular Weight | 230.1946 |
| SMILES | Fc1ccc2[nH]cc(C3=CC(=O)NC3=O)c2c1 |
| Synonyms | 3-(5-fluoro-1h-indol-3-yl)-1h-pyrrole-2,5-dione,
374818-58-3,
SCHEMBL5879255,
3-(5-fluoro-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione,
MFCD28396488,
AKOS030228069,
KS-0000013G,
CID9920995,
3-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione,
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| Complexity | 407 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.198g/mol |
| Monoisotopic Mass | 230.049g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
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