27B
Summary
| Name: | 1-bromonaphthalene-2-carboxylic acid |
| Formula: | C11 H7 Br O2 |
| Formal charge: | 0 |
| Formula weight: | 251.076 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-bromonaphthalene-2-carboxylic acid |
| OpenEye OEToolkits | 1.7.6 | 1-bromanylnaphthalene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c2ccc1ccccc1c2Br |
| InChI | InChI | 1.03 | InChI=1S/C11H7BrO2/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6H,(H,13,14) |
| InChIKey | InChI | 1.03 | VUVIRKAVBZITDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1ccc2ccccc2c1Br |
| SMILES | CACTVS | 3.370 | OC(=O)c1ccc2ccccc2c1Br |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc(c2Br)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)ccc(c2Br)C(=O)O |
