HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2513541Erstellt: 4. November 2026
4-(3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamido)benzoic acid
https://huagongshe.com/de/chemical/2513541
Identifikatoren & physikalische Daten
| CAS No. | 790272-44-5 |
|---|
| Summenformel | C16H15NO6S |
|---|
| Durchschnittliche Molmasse | 349,4 g/mol |
|---|
| Monoisotopische Masse | 349,06200837 g/mol |
|---|
| SMILES | O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1 |
|---|
| InChIKey | SQTOMTSEXVXPPS-UHFFFAOYSA-N |
|---|
| PubChem CID | 2513541 |
|---|
| ChEMBL | CHEMBL1884484 |
|---|
| EC No. | 127-417-1 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|
| Polarare Oberfläche (TPSA) | 110 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 7 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 24 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 537 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
|---|
