Identifiers & Physical Properties
| CAS No. | 767567-84-0 |
|---|
| Molecular formula | C7H8N2O2 |
|---|
| Average molar mass | 152.15 g/mol |
|---|
| SMILES | Cc1ccc([N+](=O)[O-])c(C)n1 |
|---|
| InChIKey | AETHUDGJSSKZKT-UHFFFAOYSA-N |
|---|
| EC No. | 239-543-5 |
|---|
Chemical & Physical Properties
| XLogP | 1.5 |
|---|
| Topological polar surface area | 58.7 |
|---|
| Hydrogen bond donors | 0 |
|---|
| Hydrogen bond acceptors | 3 |
|---|
| Rotatable bonds | 0 |
|---|
| Heavy atoms | 11 |
|---|
| Formal charge | 0 |
|---|
| Complexity | 155 |
|---|
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
|---|
Safety & Regulations
| GHS classification | DangerH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|
| Hazard Classes and Categories | Flam. Sol. 2 (100%) |
|---|
