1HR
Summary
| Name: | (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid |
| Formula: | C11 H8 Cl2 O3 |
| Formal charge: | 0 |
| Formula weight: | 259.085 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | (1S,2S)-2-(3,4-dichlorobenzoyl)cyclopropanecarboxylic acid |
| OpenEye OEToolkits | 1.7.6 | (1S,2S)-2-(3,4-dichlorophenyl)carbonylcyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C2CC2C(=O)c1ccc(Cl)c(Cl)c1 |
| InChI | InChI | 1.03 | InChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1 |
| InChIKey | InChI | 1.03 | ZBRKMOHDGFGXLN-BQBZGAKWSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@H]1C[C@@H]1C(=O)c2ccc(Cl)c(Cl)c2 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1C[CH]1C(=O)c2ccc(Cl)c(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C(=O)[C@H]2C[C@@H]2C(=O)O)Cl)Cl |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1C(=O)C2CC2C(=O)O)Cl)Cl |
