LV5
Summary
Name: | 3,4-Dichloroaniline |
Formula: | C6 H5 Cl2 N |
Formal charge: | 0 |
Formula weight: | 162.017 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 3,4-bis(chloranyl)aniline |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2 |
InChIKey | InChI | 1.03 | SDYWXFYBZPNOFX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Nc1ccc(Cl)c(Cl)c1 |
SMILES | CACTVS | 3.385 | Nc1ccc(Cl)c(Cl)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)Cl)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1N)Cl)Cl |