KJU
Summary
| Name: | 6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| Formula: | C8 H6 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 183.592 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 6-chloro-2H-1,4-benzoxazin-3(4H)-one |
| OpenEye OEToolkits | 1.7.6 | 6-chloranyl-4H-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc2ccc1OCC(=O)Nc1c2 |
| InChI | InChI | 1.03 | InChI=1S/C8H6ClNO2/c9-5-1-2-7-6(3-5)10-8(11)4-12-7/h1-3H,4H2,(H,10,11) |
| InChIKey | InChI | 1.03 | OBPIPKQQNRACHV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Clc1ccc2OCC(=O)Nc2c1 |
| SMILES | CACTVS | 3.385 | Clc1ccc2OCC(=O)Nc2c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)NC(=O)CO2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc2c(cc1Cl)NC(=O)CO2 |
