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 |