5-amino-2-(3,4-dichlorophenoxy)benzonitrile structure
|
Common Name | 5-amino-2-(3,4-dichlorophenoxy)benzonitrile | ||
|---|---|---|---|---|
| CAS Number | 99902-87-1 | Molecular Weight | 279.12100 | |
| Density | 1.45g/cm3 | Boiling Point | 444ºC at 760 mmHg | |
| Molecular Formula | C13H8Cl2N2O | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 222.3ºC | |
| Name | 5-amino-2-(3,4-dichlorophenoxy)benzonitrile |
|---|
| Density | 1.45g/cm3 |
|---|---|
| Boiling Point | 444ºC at 760 mmHg |
| Molecular Formula | C13H8Cl2N2O |
| Molecular Weight | 279.12100 |
| Flash Point | 222.3ºC |
| Exact Mass | 278.00100 |
| PSA | 59.04000 |
| LogP | 4.82078 |
| Index of Refraction | 1.662 |
| InChIKey | QAHQCZWWPMJDRP-UHFFFAOYSA-N |
| SMILES | N#Cc1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1 |
|
~88%
5-amino-2-(3,4-... CAS#:99902-87-1 |
| Literature: Markley; Tong; Dulworth; Steward; Goralski; Johnston; Wood; Vinogradoff; Bargar Journal of Medicinal Chemistry, 1986 , vol. 29, # 3 p. 427 - 433 |
| Precursor 1 | |
|---|---|
| DownStream 1 | |
|
Name: Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-2
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL799620
|
|
Name: Lowest concentration to reduce viral effect by 50% or more against Rhinovirus (RV)-1A
Source: ChEMBL
Target: Enterovirus
External Id: CHEMBL800917
|
|
Name: Ratio of the MIC50 of 6-(4-Nitro-phenoxy)-nicotinonitrile compared to compound obtain...
Source: ChEMBL
Target: Coxsackievirus
External Id: CHEMBL661536
|
|
Name: Cytotoxicity concentration in HeLa cells
Source: ChEMBL
Target: HeLa
External Id: CHEMBL641837
|
|
Name: Lowest concentration to reduce viral effect by 50% or more against coxsackie virus A2...
Source: ChEMBL
Target: Coxsackievirus
External Id: CHEMBL665061
|