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 |