HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 2782728Generated: October 23, 2026
ethyl 7-fluoro-5-(methylsulfonyl)-1H-indole-2-carboxylate
ETHYL 7-FLUORO-5-(METHYLSULFONYL)-1H-INDOLE-2-CARBOXYLATE · ETHYL 7-FLUORO-5-(METHYLSULPHONYL)-1H-INDOLE-2-CARBOXYLATE · 1H-Indole-2-carboxylic acid, 7-fluoro-5-(methylsulfonyl)-, ethyl ester
https://huagongshe.com/en/chemical/2782728
Identifiers & Physical Properties
| CAS No. | 849035-83-2 |
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| Molecular formula | C12H12FNO4S |
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| Average molar mass | 285.29 g/mol |
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| Monoisotopic mass | 285.04710708 g/mol |
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| SMILES | CCOC(=O)c1cc2cc(S(C)(=O)=O)cc(F)c2[nH]1 |
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| InChIKey | KBJSJZNRAUFFSD-UHFFFAOYSA-N |
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| PubChem CID | 2782728 |
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| DTXSID | DTXSID30382245 |
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Chemical & Physical Properties
| XLogP | 1.9 |
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| Topological polar surface area | 84.6 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 19 |
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| Formal charge | 0 |
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| Complexity | 447 |
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| Melting point | 193-195°C (dec.) |
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| Hazard symbols | Xi |
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| Risk statements (R) | 36/37/38 |
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| Safety statements (S) | 26-36/37/39 |
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| Hazard Note | Irritant |
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| Customs code | 2933998090 |
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Safety & Regulations
| Customs code | 2933998090 |
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| Risk statements (R) | 36/37/38 |
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| Hazard symbols | Xi |
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| hazard_note | Irritant |
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| Safety statements (S) | 26-36/37/39 |
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