01V
Summary
| Name: | 1-(2,5-dichlorophenyl)methanamine |
| Formula: | C7 H7 Cl2 N |
| Formal charge: | 0 |
| Formula weight: | 176.043 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(2,5-dichlorophenyl)methanamine |
| OpenEye OEToolkits | 1.7.0 | (2,5-dichlorophenyl)methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1ccc(Cl)cc1CN |
| SMILES_CANONICAL | CACTVS | 3.370 | NCc1cc(Cl)ccc1Cl |
| SMILES | CACTVS | 3.370 | NCc1cc(Cl)ccc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)CN)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(c(cc1Cl)CN)Cl |
| InChI | InChI | 1.03 | InChI=1S/C7H7Cl2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H,4,10H2 |
| InChIKey | InChI | 1.03 | AKGJLIXNRPNPCH-UHFFFAOYSA-N |
