HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16123766Generated: October 27, 2026
{3-Bromo-5-[2-fluoro-4-(phenylsulfonyl)phenoxy]phenyl}acetic acid
https://huagongshe.com/en/chemical/16123766
Identifiers & Physical Properties
| Molecular formula | C20H14BrFO5S |
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| Average molar mass | 465.3 g/mol |
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| Monoisotopic mass | 463.97294 g/mol |
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| SMILES | O=C(O)Cc1cc(Br)cc(Oc2ccc(S(=O)(=O)c3ccccc3)cc2F)c1 |
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| InChIKey | ABKOBKRDWRRVIE-UHFFFAOYSA-N |
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| PubChem CID | 16123766 |
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Chemical & Physical Properties
| XLogP | 4.5 |
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| Topological polar surface area | 89.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 631 |
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![{3-Bromo-5-[2-fluoro-4-(phenylsulfonyl)phenoxy]phenyl}acetic acid molecular structure](/img/chemical/16123766.png)