JW8
Summary
| Name: | {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid |
| Formula: | C9 H12 B N O4 S |
| Formal charge: | 0 |
| Formula weight: | 241.072 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid |
| OpenEye OEToolkits | 2.0.6 | [4-(azetidin-1-ylsulfonyl)phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O |
| InChI | InChI | 1.03 | InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2 |
| InChIKey | InChI | 1.03 | IOGLONDWRZETTA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccc(cc1)[S](=O)(=O)N2CCC2 |
| SMILES | CACTVS | 3.385 | OB(O)c1ccc(cc1)[S](=O)(=O)N2CCC2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O |
