4JH
Summary
| Name: | 1-(3-bromophenyl)methanamine |
| Formula: | C7 H8 Br N |
| Formal charge: | 0 |
| Formula weight: | 186.049 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-bromophenyl)methanamine |
| OpenEye OEToolkits | 1.9.2 | (3-bromophenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1(cccc(c1)Br)CN |
| InChI | InChI | 1.03 | InChI=1S/C7H8BrN/c8-7-3-1-2-6(4-7)5-9/h1-4H,5,9H2 |
| InChIKey | InChI | 1.03 | SUYJXERPRICYRX-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1cccc(Br)c1 |
| SMILES | CACTVS | 3.385 | NCc1cccc(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Br)CN |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(cc(c1)Br)CN |
