5E4
Summary
| Name: | 2-[(3-bromophenyl)amino]benzoic acid |
| Formula: | C13 H10 Br N O2 |
| Formal charge: | 0 |
| Formula weight: | 292.128 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(3-bromophenyl)amino]benzoic acid |
| OpenEye OEToolkits | 1.9.2 | 2-[(3-bromophenyl)amino]benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccccc1Nc2cc(Br)ccc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H10BrNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(H,16,17) |
| InChIKey | InChI | 1.03 | IRGQJNUPNQPHQP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cccc(Br)c2 |
| SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1Nc2cccc(Br)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1ccc(c(c1)C(=O)O)Nc2cccc(c2)Br |
