SX1
Summary
| Name: | 2-amino-5-bromobenzoic acid |
| Formula: | C7 H6 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 216.032 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 2-amino-5-bromobenzoic acid |
| OpenEye OEToolkits | 1.5.0 | 2-amino-5-bromo-benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Brc1cc(C(=O)O)c(N)cc1 |
| SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(Br)cc1C(O)=O |
| SMILES | CACTVS | 3.341 | Nc1ccc(Br)cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Br)C(=O)O)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1Br)C(=O)O)N |
| InChI | InChI | 1.03 | InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11) |
| InChIKey | InChI | 1.03 | CUKXRHLWPSBCTI-UHFFFAOYSA-N |
