A1BJU
Summary
| Name: | 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid |
| Formula: | C10 H8 Br Cl O2 |
| Formal charge: | 0 |
| Formula weight: | 275.526 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 14.52 | 1-(3-bromo-4-chlorophenyl)cyclopropane-1-carboxylic acid |
| OpenEye OEToolkits | 3.1.0.0 | 1-(3-bromanyl-4-chloranyl-phenyl)cyclopropane-1-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | OC(=O)C1(CC1)c1cc(Br)c(Cl)cc1 |
| InChI | InChI | 1.06 | InChI=1S/C10H8BrClO2/c11-7-5-6(1-2-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14) |
| InChIKey | InChI | 1.06 | XHRHNFHYFQBJLJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CC1)c2ccc(Cl)c(Br)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CC1)c2ccc(Cl)c(Br)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C2(CC2)C(=O)O)Br)Cl |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(c(cc1C2(CC2)C(=O)O)Br)Cl |
