| CAS Number | 1609402-81-4 |
| Catalog Number | AG00J2XO(AGN-PC-0WB66F) |
| Chemical Name | 3-Bromo-1-methyl-5-(trifluoromethyl)-1H-1,2,4-triazole |
| IUPAC Name | 3-bromo-1-methyl-5-(trifluoromethyl)-1,2,4-triazole |
| InChI | InChI=1S/C4H3BrF3N3/c1-11-2(4(6,7)8)9-3(5)10-11/h1H3 |
| InChI Key | YVENSHIRMMCLRU-UHFFFAOYSA-N |
| MDL Number | MFCD28024804 |
| Molecular Formula | C4H3BrF3N3 |
| Molecular Weight | 229.9859 |
| SMILES | BrC1=NN(C(=N1)C(F)(F)F)C |
| Synonyms | 1609402-81-4,
3-Bromo-1-methyl-5-(trifluoromethyl)-1H-1,2,4-triazole,
ALBB-027722,
ZX-AN051975,
ZX-CM010870,
MFCD28024804,
ZINC96904990,
AKOS022193767,
FCH2569935,
1H-1,2,4-triazole, 3-bromo-1-methyl-5-(trifluoromethyl)-,
3-bromo-1-methyl-5-(trifluoromethyl)-1,2,4-triazole,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.988g/mol |
| Monoisotopic Mass | 228.946g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number