0R1
Summary
| Name: | 1,2-benzisoxazole |
| Formula: | C7 H5 N O |
| Formal charge: | 0 |
| Formula weight: | 119.121 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1,2-benzoxazole |
| OpenEye OEToolkits | 1.7.6 | 1,2-benzoxazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | n2oc1ccccc1c2 |
| InChI | InChI | 1.03 | InChI=1S/C7H5NO/c1-2-4-7-6(3-1)5-8-9-7/h1-5H |
| InChIKey | InChI | 1.03 | KTZQTRPPVKQPFO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | o1ncc2ccccc12 |
| SMILES | CACTVS | 3.370 | o1ncc2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cno2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)cno2 |
