A4T
Summary
| Name: | [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine |
| Formula: | C13 H11 Cl F N |
| Formal charge: | 0 |
| Formula weight: | 235.685 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [3-chloranyl-4-(2-fluorophenyl)phenyl]methanamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H11ClFN/c14-12-7-9(8-16)5-6-10(12)11-3-1-2-4-13(11)15/h1-7H,8,16H2 |
| InChIKey | InChI | 1.03 | RDVSUVUAPHOYAU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(c(Cl)c1)c2ccccc2F |
| SMILES | CACTVS | 3.385 | NCc1ccc(c(Cl)c1)c2ccccc2F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2Cl)CN)F |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2Cl)CN)F |
