| CAS Number | 1378259-89-2 |
| Catalog Number | AG01B6JE |
| Chemical Name | 4-bromo-1-methyl-1H-1,2,3-benzotriazole |
| IUPAC Name | 4-bromo-1-methylbenzotriazole |
| InChI | InChI=1S/C7H6BrN3/c1-11-6-4-2-3-5(8)7(6)9-10-11/h2-4H,1H3 |
| InChI Key | RIFALXBGBJHMER-UHFFFAOYSA-N |
| MDL Number | MFCD22371450 |
| Molecular Formula | C7H6BrN3 |
| Molecular Weight | 212.0466 |
| SMILES | BrC1=CC=CC=2N(N=NC21)C |
| Synonyms | 4-Bromo-1-methyl-1H-1,2,3-benzotriazole,
1378259-89-2,
SCHEMBL19911637,
ZINC85385112,
AKOS023563578,
4-bromo-1-methyl-1H-benzo[d][1,2,3]triazole,
Z2574910799,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.05g/mol |
| Monoisotopic Mass | 210.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number