Identifikatoren & physikalische Daten
| CAS No. | 1343187-78-9 |
|---|
| Summenformel | C9H5BrN2O2S |
|---|
| Durchschnittliche Molmasse | 285,12 g/mol |
|---|
| Monoisotopische Masse | 283,92551 g/mol |
|---|
| SMILES | O=C(O)c1cnc(-c2ccc(Br)s2)nc1 |
|---|
| InChIKey | VNZVRPJDKCJJEH-UHFFFAOYSA-N |
|---|
| PubChem CID | 64308452 |
|---|
| EC No. | 849-558-4 |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|
| Polarare Oberfläche (TPSA) | 91,3 |
|---|
| H-Brücken-Donoren | 1 |
|---|
| H-Brücken-Akzeptoren | 5 |
|---|
| Frei drehbare Bindungen | 2 |
|---|
| Schwere Atome | 15 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 246 |
|---|
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%) |
|---|
