Identifikatoren & physikalische Daten
| CAS No. | 2839157-30-9 |
|---|
| Summenformel | C9H12ClFN2O3 |
|---|
| Durchschnittliche Molmasse | 250,65 g/mol |
|---|
| Monoisotopische Masse | 250,0520481 g/mol |
|---|
| SMILES | Cl.NCCCOc1ccc([N+](=O)[O-])cc1F |
|---|
| InChIKey | PKKQXIGEKGEKLW-UHFFFAOYSA-N |
|---|
| PubChem CID | 165890565 |
|---|
| EC No. | 897-914-2 |
|---|
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 81,1 |
|---|
| H-Brücken-Donoren | 2 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 4 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 210 |
|---|
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%) |
|---|
