KJM
Summary
| Name: | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide |
| Formula: | C11 H13 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 208.687 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide |
| OpenEye OEToolkits | 2.0.6 | 1-(3-chlorophenyl)cyclobutane-1-carboximidamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N\C(=N)C1(CCC1)c2cc(ccc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C11H13ClN2/c12-9-4-1-3-8(7-9)11(10(13)14)5-2-6-11/h1,3-4,7H,2,5-6H2,(H3,13,14) |
| InChIKey | InChI | 1.03 | XNPVOSOTFKAKIZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC(=N)C1(CCC1)c2cccc(Cl)c2 |
| SMILES | CACTVS | 3.385 | NC(=N)C1(CCC1)c2cccc(Cl)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | [H]/N=C(\C1(CCC1)c2cccc(c2)Cl)/N |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)Cl)C2(CCC2)C(=N)N |
