3,1-Benzoxazepine-2-carbonitrile
3,1-benzoxazepine-2-carbonitrile
Also Known As: 3,1-Benzoxazepine-2-carbonitrile|benzo[d][1,3]oxazepine-2-carbonitrile
CAS: 18457-80-2
| Molecular Formula | C10H6N2O |
|---|---|
| Molecular Weight | 170.04802 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 45.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 170.04802 |
| Monoisotopic Mass | 170.04802 |
| Heavy Atoms | 13 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 18457-80-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=COC(=N2)C#N |
| InChIKey | UCCKBAPZOKCNRY-UHFFFAOYSA-N |
Product Overview
3,1-Benzoxazepine-2-carbonitrile (CAS 18457-80-2), with molecular formula C10H6N2O and molecular weight 170.04802 g/mol. IUPAC: 3,1-benzoxazepine-2-carbonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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