| CAS Number | 1315370-96-7 |
| Catalog Number | AG01E92U |
| Chemical Name | 5-chloro-3-(4-chlorophenyl)-1H-1,2,4-triazole |
| IUPAC Name | 5-chloro-3-(4-chlorophenyl)-1H-1,2,4-triazole |
| InChI | InChI=1S/C8H5Cl2N3/c9-6-3-1-5(2-4-6)7-11-8(10)13-12-7/h1-4H,(H,11,12,13) |
| InChI Key | OUCNRPSECDTEMP-UHFFFAOYSA-N |
| MDL Number | MFCD19685606 |
| Molecular Formula | C8H5Cl2N3 |
| Molecular Weight | 214.0514 |
| SMILES | ClC1NN=C(C2=CC=C(Cl)C=C2)N=1 |
| Synonyms | 3-chloro-5-(4-chlorophenyl)-1H-1,2,4-triazole,
1315370-96-7,
BBL033059,
STL234410,
ZINC96436044,
AKOS005260740,
AKOS013588456,
AKOS024084919,
MCULE-7189463157,
5-chloro-3-(4-chlorophenyl)-1H-1,2,4-triazole,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.049g/mol |
| Monoisotopic Mass | 212.986g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number