| CAS Number | 1354777-43-7 |
| Catalog Number | AG01EL5M |
| Chemical Name | 5-bromo-7-methyl-1H-1,2,3-benzotriazole |
| IUPAC Name | 6-bromo-4-methyl-2H-benzotriazole |
| InChI | InChI=1S/C7H6BrN3/c1-4-2-5(8)3-6-7(4)10-11-9-6/h2-3H,1H3,(H,9,10,11) |
| InChI Key | AWZVOWGMSCDYMP-UHFFFAOYSA-N |
| MDL Number | MFCD20501469 |
| Molecular Formula | C7H6BrN3 |
| Molecular Weight | 212.0466 |
| SMILES | CC1=C2C(N=NN2)=CC(Br)=C1 |
| Synonyms | 5-bromo-7-methyl-1H-1,2,3-benzotriazole,
6-bromo-4-methyl-1h-benzotriazole,
ZINC73633822,
1354777-43-7,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.05g/mol |
| Monoisotopic Mass | 210.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number