HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 972732Generated: November 3, 2026
3-(((Furan-2-yl)methyl)sulfamoyl)benzoic acid
3-[[(2-FURYLMETHYL)AMINO]SULFONYL]BENZOIC ACID · 3-[[(2-Furanylmethyl)amino]sulfonyl]benzoic acid · 3-[[(Furan-2-ylmethyl)amino]sulfonyl]benzoic acid · Benzoic acid, 3-[[(2-furanylmethyl)amino]sulfonyl]-
https://huagongshe.com/en/chemical/972732
Identifiers & Physical Properties
| CAS No. | 603118-18-9 |
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| Molecular formula | C12H11NO5S |
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| Average molar mass | 281.29 g/mol |
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| Monoisotopic mass | 281.03579362 g/mol |
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| SMILES | O=C(O)c1cccc(S(=O)(=O)NCc2ccco2)c1 |
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| InChIKey | WGFFBVJRQFLJBY-UHFFFAOYSA-N |
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| PubChem CID | 972732 |
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| EC No. | 999-719-9 |
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| DTXSID | DTXSID901240218 |
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Chemical & Physical Properties
| XLogP | 1 |
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| Topological polar surface area | 105 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 416 |
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| Boiling point | 514.5±60.0 °C(Predicted) |
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| Density | 1.434±0.06 g/cm3(Predicted) |
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| pKa (acidity coefficient) | 3.66±0.10(Predicted) |
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Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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