| CAS Number | 1849334-21-9 |
| Catalog Number | AG01BS6Y |
| Chemical Name | 3-bromo-1-(cyclopropylmethyl)-1H-1,2,4-triazole |
| IUPAC Name | 3-bromo-1-(cyclopropylmethyl)-1,2,4-triazole |
| InChI | InChI=1S/C6H8BrN3/c7-6-8-4-10(9-6)3-5-1-2-5/h4-5H,1-3H2 |
| InChI Key | WGTVZYDRUVHVDL-UHFFFAOYSA-N |
| MDL Number | MFCD30536078 |
| Molecular Formula | C6H8BrN3 |
| Molecular Weight | 202.0518 |
| SMILES | BrC1=NN(CC2CC2)C=N1 |
| Synonyms | 3-bromo-1-(cyclopropylmethyl)-1H-1,2,4-triazole,
1849334-21-9,
ZINC287334766,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.055g/mol |
| Monoisotopic Mass | 200.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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