MS9
Summary
| Name: | methyl 2-amino-4-chlorobenzoate |
| Formula: | C8 H8 Cl N O2 |
| Formal charge: | 0 |
| Formula weight: | 185.608 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl 2-amino-4-chlorobenzoate |
| OpenEye OEToolkits | 1.7.0 | methyl 2-azanyl-4-chloro-benzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc1cc(c(C(=O)OC)cc1)N |
| SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)c1ccc(Cl)cc1N |
| SMILES | CACTVS | 3.370 | COC(=O)c1ccc(Cl)cc1N |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COC(=O)c1ccc(cc1N)Cl |
| SMILES | OpenEye OEToolkits | 1.7.0 | COC(=O)c1ccc(cc1N)Cl |
| InChI | InChI | 1.03 | InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3 |
| InChIKey | InChI | 1.03 | YPSSCICDVDOEAI-UHFFFAOYSA-N |
