| CAS Number | 1375068-83-9 |
| Catalog Number | AG007ZPO(AGN-PC-0WA4UH) |
| Chemical Name | 1-tert-Butyl-6,7-difluoro-1,2,3-benzotriazole |
| IUPAC Name | 1-tert-butyl-6,7-difluorobenzotriazole |
| InChI | InChI=1S/C10H11F2N3/c1-10(2,3)15-9-7(13-14-15)5-4-6(11)8(9)12/h4-5H,1-3H3 |
| InChI Key | XELWCUAOAZXRPO-UHFFFAOYSA-N |
| MDL Number | MFCD22205778 |
| Molecular Formula | C10H11F2N3 |
| Molecular Weight | 211.2112 |
| SMILES | Fc1ccc2c(c1F)n(nn2)C(C)(C)C |
| Synonyms | 1-tert-Butyl-6,7-difluoro-1,2,3-benzotriazole,
1375068-83-9,
1-(tert-Butyl)-6,7-difluoro-1H-benzo[d][1,2,3]triazole,
ACMC-209cd0,
CTK8B0644,
DTXSID80742976,
C10H11F2N3,
ANW-20290,
MFCD22205778,
ZINC85477215,
TC-109035,
1-tert-Butyl-6,7-difluoro-1H-benzotriazole,
V2737,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.216g/mol |
| Monoisotopic Mass | 211.092g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number