BR6
Summary
| Name: | (E)-4-((4-bromophenylimino)methyl)benzimidamide |
| Formula: | C14 H12 Br N3 |
| Formal charge: | 0 |
| Formula weight: | 302.169 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 11.02 | 4-{(E)-[(4-bromophenyl)imino]methyl}benzenecarboximidamide |
| OpenEye OEToolkits | 1.6.1 | 4-[(E)-(4-bromophenyl)iminomethyl]benzenecarboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 11.02 | Brc2ccc(/N=C/c1ccc(C(=[N@H])N)cc1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.352 | NC(=N)c1ccc(cc1)C=Nc2ccc(Br)cc2 |
| SMILES | CACTVS | 3.352 | NC(=N)c1ccc(cc1)C=Nc2ccc(Br)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | [H]/N=C(/c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1C=Nc2ccc(cc2)Br)C(=N)N |
| InChI | InChI | 1.03 | InChI=1S/C14H12BrN3/c15-12-5-7-13(8-6-12)18-9-10-1-3-11(4-2-10)14(16)17/h1-9H,(H3,16,17)/b18-9+ |
| InChIKey | InChI | 1.03 | JQXAHUQWUIRBGQ-GIJQJNRQSA-N |
