TZ9
6,8-bis(fluoranyl)chromene
Created: | 2023-08-28 |
Last modified: | 2023-11-29 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 18 |
Chiral Atom Count | 0 |
Bond Count | 19 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 6,8-bis(fluoranyl)chromene |
Systematic Name (OpenEye OEToolkits) | 6,8-bis(fluoranyl)-2~{H}-chromene |
Formula | C9 H6 F2 O |
Molecular Weight | 168.14 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1cc(F)c2OCC=Cc2c1 |
SMILES | CACTVS | 3.385 | Fc1cc(F)c2OCC=Cc2c1 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1C=CCO2)F)F |
Canonical SMILES | CACTVS | 3.385 | Fc1cc(F)c2OCC=Cc2c1 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c2c1C=CCO2)F)F |
InChI | InChI | 1.06 | InChI=1S/C9H6F2O/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-2,4-5H,3H2 |
InChIKey | InChI | 1.06 | DRQKJKGKLYCHHB-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 45043272 |