| CAS Number | 1799973-82-2 |
| Catalog Number | AG0021K3(AGN-PC-0WCTSG) |
| Chemical Name | 1H-Benzotriazole, 5-bromo-7-methoxy-1-methyl- |
| IUPAC Name | 5-bromo-7-methoxy-1-methylbenzotriazole |
| InChI | InChI=1S/C8H8BrN3O/c1-12-8-6(10-11-12)3-5(9)4-7(8)13-2/h3-4H,1-2H3 |
| InChI Key | KDCYQZGOXATLDS-UHFFFAOYSA-N |
| MDL Number | MFCD28969711 |
| Molecular Formula | C8H8BrN3O |
| Molecular Weight | 242.0726 |
| SMILES | BrC1=CC2=C(N(N=N2)C)C(=C1)OC |
| Synonyms | 1799973-82-2,
5-bromo-7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazole,
SCHEMBL16831692,
ZINC307411671,
FCH4219698,
1H-Benzotriazole, 5-bromo-7-methoxy-1-methyl-,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.076g/mol |
| Monoisotopic Mass | 240.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 39.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number