FP2
2-fluorophenol
Created: | 2008-04-01 |
Last modified: | 2011-06-04 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 13 |
Chiral Atom Count | 0 |
Bond Count | 13 |
Aromatic Bond Count | 6 |
Chemical Component Summary | |
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Name | 2-fluorophenol |
Systematic Name (OpenEye OEToolkits) | 2-fluorophenol |
Formula | C6 H5 F O |
Molecular Weight | 112.102 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccccc1O |
SMILES | CACTVS | 3.341 | Oc1ccccc1F |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)O)F |
Canonical SMILES | CACTVS | 3.341 | Oc1ccccc1F |
Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(c(c1)O)F |
InChI | InChI | 1.03 | InChI=1S/C6H5FO/c7-5-3-1-2-4-6(5)8/h1-4,8H |
InChIKey | InChI | 1.03 | HFHFGHLXUCOHLN-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 9707 |
ChEMBL | CHEMBL224144 |
CCDC/CSD | VESXUO, LAWWEM, QAMWEH01 |
COD | 2100154 |