2CQ
Summary
| Name: | 4-chloro-5-methylbenzene-1,2-diamine |
| Formula: | C7 H9 Cl N2 |
| Formal charge: | 0 |
| Formula weight: | 156.613 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-chloro-5-methylbenzene-1,2-diamine |
| OpenEye OEToolkits | 1.7.6 | 4-chloranyl-5-methyl-benzene-1,2-diamine |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(N)cc1C)N |
| InChI | InChI | 1.03 | InChI=1S/C7H9ClN2/c1-4-2-6(9)7(10)3-5(4)8/h2-3H,9-10H2,1H3 |
| InChIKey | InChI | 1.03 | HOFKXNBVTNUDSH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(N)c(N)cc1Cl |
| SMILES | CACTVS | 3.385 | Cc1cc(N)c(N)cc1Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(cc1Cl)N)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | Cc1cc(c(cc1Cl)N)N |
