| CAS Number | 1520859-32-8 |
| Catalog Number | AG01DVIU |
| Chemical Name | 3-bromo-5-chloro-1-methyl-1H-1,2,4-triazole |
| IUPAC Name | 3-bromo-5-chloro-1-methyl-1,2,4-triazole |
| InChI | InChI=1S/C3H3BrClN3/c1-8-3(5)6-2(4)7-8/h1H3 |
| InChI Key | MKSXLLNJJAZKBB-UHFFFAOYSA-N |
| MDL Number | MFCD31617303 |
| Molecular Formula | C3H3BrClN3 |
| Molecular Weight | 196.4330 |
| SMILES | CN1C(Cl)=NC(Br)=N1 |
| Synonyms | 3-bromo-5-chloro-1-methyl-1H-1,2,4-triazole,
1520859-32-8,
|
| Complexity | 90.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.432g/mol |
| Monoisotopic Mass | 194.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number