Identifikatoren & physikalische Daten
| CAS No. | 110520-86-0 |
|---|
| Summenformel | C12H10N2O2 |
|---|
| Durchschnittliche Molmasse | 214,22 g/mol |
|---|
| Monoisotopische Masse | 214,07422757 g/mol |
|---|
| SMILES | O=C(Nc1ccccc1)Oc1cccnc1 |
|---|
| InChIKey | UPRPNGGSKFBCOW-UHFFFAOYSA-N |
|---|
| PubChem CID | 252525 |
|---|
| ChEMBL | CHEMBL1173543 |
|---|
| EC No. | 667-610-2 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|
| Polarare Oberfläche (TPSA) | 51,2 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 3 |
|---|
| Frei drehbare Bindungen | 3 |
|---|
| Schwere Atome | 16 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 227 |
|---|
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
|---|
