| CAS Number | 63580-19-8 |
| Catalog Number | AG01BHUJ(AGN-PC-0OEA27) |
| Chemical Name | 3-chloro-5-(2-chlorophenyl)-1H-1,2,4-triazole |
| IUPAC Name | 5-chloro-3-(2-chlorophenyl)-1H-1,2,4-triazole |
| InChI | InChI=1S/C8H5Cl2N3/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H,11,12,13) |
| InChI Key | SQOOCXKEAOZMFU-UHFFFAOYSA-N |
| MDL Number | MFCD19691744 |
| Molecular Formula | C8H5Cl2N3 |
| Molecular Weight | 214.0514 |
| SMILES | ClC1N=C(C2=C(Cl)C=CC=C2)NN=1 |
| Synonyms | 3-chloro-5-(2-chlorophenyl)-1H-1,2,4-triazole,
63580-19-8,
1H-1,2,4-Triazole, 3-chloro-5-(2-chlorophenyl)-,
5-chloro-3-(2-chlorophenyl)-1H-1,2,4-triazole,
CTK1I6402,
DTXSID50718229,
BBL033061,
STL241880,
ZINC66442595,
AKOS024084917,
MCULE-3350020317,
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| Complexity | 179 |
| 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
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Certificate of Analysis
Lot Number