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5-fluoro-1,3-dihydro-2H-indol-2-one
Created: | 2022-10-20 |
Last modified: | 2024-09-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 17 |
Chiral Atom Count | 0 |
Bond Count | 18 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 5-fluoro-1,3-dihydro-2H-indol-2-one |
Systematic Name (OpenEye OEToolkits) | 5-fluoranyl-1,3-dihydroindol-2-one |
Formula | C8 H6 F N O |
Molecular Weight | 151.138 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc2CC(=O)Nc2cc1 |
SMILES | CACTVS | 3.385 | Fc1ccc2NC(=O)Cc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)CC(=O)N2 |
Canonical SMILES | CACTVS | 3.385 | Fc1ccc2NC(=O)Cc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1cc2c(cc1F)CC(=O)N2 |
InChI | InChI | 1.06 | InChI=1S/C8H6FNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11) |
InChIKey | InChI | 1.06 | DDIIYGHHUMKDGI-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 3731012 |
CCDC/CSD | HERMIB |
COD | 4508806 |