| CAS Number | 99817-26-2 |
| Catalog Number | AG00VT80(AGN-PC-05FEDG) |
| Chemical Name | 4-(2,4-Dichlorophenyl)-1,2,5-oxadiazol-3-amine |
| IUPAC Name | 4-(2,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine |
| InChI | InChI=1S/C8H5Cl2N3O/c9-4-1-2-5(6(10)3-4)7-8(11)13-14-12-7/h1-3H,(H2,11,13) |
| InChI Key | MHIURJHEDPOTPC-UHFFFAOYSA-N |
| MDL Number | MFCD11574181 |
| Molecular Formula | C8H5Cl2N3O |
| Molecular Weight | 230.0508 |
| SMILES | NC1C(C2=C(Cl)C=C(Cl)C=C2)=NON=1 |
| Synonyms | 4-(2,4-dichlorophenyl)-1,2,5-oxadiazol-3-amine,
99817-26-2,
ZINC20387508,
AKOS011790999,
MCULE-3982824455,
NE23646,
Z1346385437,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.048g/mol |
| Monoisotopic Mass | 228.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number