A9K
Summary
| Name: | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol |
| Formula: | C13 H12 Cl N O |
| Formal charge: | 0 |
| Formula weight: | 233.693 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | 2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C13H12ClNO/c14-12-7-9(8-15)5-6-10(12)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2 |
| InChIKey | InChI | 1.03 | IUGTZBMBEJSWNV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NCc1ccc(c(Cl)c1)c2ccccc2O |
| SMILES | CACTVS | 3.385 | NCc1ccc(c(Cl)c1)c2ccccc2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2Cl)CN)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(c(c1)c2ccc(cc2Cl)CN)O |
