| CAS Number | 1402465-82-0 |
| Catalog Number | AG01BC9L |
| Chemical Name | 4-Bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde |
| IUPAC Name | 5-bromo-3-methyltriazole-4-carbaldehyde |
| InChI | InChI=1S/C4H4BrN3O/c1-8-3(2-9)4(5)6-7-8/h2H,1H3 |
| InChI Key | VEENYDFRMABVST-UHFFFAOYSA-N |
| MDL Number | MFCD28130318 |
| Molecular Formula | C4H4BrN3O |
| Molecular Weight | 189.9981 |
| SMILES | CN1C(C=O)=C(Br)N=N1 |
| Synonyms | 4-bromo-1-methyl-1H-1,2,3-triazole-5-carbaldehyde,
1402465-82-0,
SCHEMBL12988708,
ZINC214584152,
FT-0759058,
4-bromo-1-methyl-1H-1,2,3-Triazole-5-carboxaldehyde,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190g/mol |
| Monoisotopic Mass | 188.954g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 47.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number