| CAS Number | 1365272-81-6 |
| Catalog Number | AG00120V(AGN-PC-0WAB28) |
| Chemical Name | 5-Bromo-1-cyclohexyl-6-fluoro-1,2,3-benzotriazole |
| IUPAC Name | 5-bromo-1-cyclohexyl-6-fluorobenzotriazole |
| InChI | InChI=1S/C12H13BrFN3/c13-9-6-11-12(7-10(9)14)17(16-15-11)8-4-2-1-3-5-8/h6-8H,1-5H2 |
| InChI Key | ROCPFPQTDWQLEE-UHFFFAOYSA-N |
| MDL Number | MFCD21609581 |
| Molecular Formula | C12H13BrFN3 |
| Molecular Weight | 298.1541 |
| SMILES | Fc1cc2n(nnc2cc1Br)C1CCCCC1 |
| Synonyms | 5-Bromo-1-cyclohexyl-6-fluoro-1,2,3-benzotriazole,
1365272-81-6,
ACMC-209c8w,
5-Bromo-1-cyclohexyl-6-fluoro-1H-benzotriazole,
C12H13BrFN3,
CTK8B0575,
DTXSID50742923,
ANW-20142,
MFCD21609581,
ZINC85477131,
AKOS026672995,
TC-108887,
V2637,
K-4384,
1H-Benzotriazole, 5-bromo-1-cyclohexyl-6-fluoro-,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.159g/mol |
| Monoisotopic Mass | 297.028g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number