UOR
Summary
| Name: | 2-chloro-5-(1H-pyrrol-1-yl)benzoic acid |
| Formula: | C11 H8 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 221.64 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-chloro-5-(1H-pyrrol-1-yl)benzoic acid |
| OpenEye OEToolkits | 2.0.7 | 2-chloranyl-5-pyrrol-1-yl-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cc(ccc1Cl)n1cccc1 |
| InChI | InChI | 1.06 | InChI=1S/C11H8ClNO2/c12-10-4-3-8(7-9(10)11(14)15)13-5-1-2-6-13/h1-7H,(H,14,15) |
| InChIKey | InChI | 1.06 | HPAOLHCBQKYITR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1Cl)n2cccc2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1Cl)n2cccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl |
