| CAS Number | 1375068-80-6 |
| Catalog Number | AG007LJ0(AGN-PC-0WAB27) |
| Chemical Name | 5-Bromo-1-cyclohexyl-6,7-difluoro-1,2,3-benzotriazole |
| IUPAC Name | 5-bromo-1-cyclohexyl-6,7-difluorobenzotriazole |
| InChI | InChI=1S/C12H12BrF2N3/c13-8-6-9-12(11(15)10(8)14)18(17-16-9)7-4-2-1-3-5-7/h6-7H,1-5H2 |
| InChI Key | HGNWQMYWHZERSB-UHFFFAOYSA-N |
| MDL Number | MFCD22205775 |
| Molecular Formula | C12H12BrF2N3 |
| Molecular Weight | 316.1446 |
| SMILES | Fc1c(F)c(Br)cc2c1n(nn2)C1CCCCC1 |
| Synonyms | 5-Bromo-1-cyclohexyl-6,7-difluoro-1,2,3-benzotriazole,
1375068-80-6,
ACMC-209ccx,
C12H12BrF2N3,
CTK8B0641,
DTXSID60742974,
ANW-20287,
MFCD22205775,
ZINC85477210,
AKOS026673078,
TC-109032,
V2734,
K-4441,
5-Bromo-1-cyclohexyl-6,7-difluoro-1H-benzotriazole,
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| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.15g/mol |
| Monoisotopic Mass | 315.018g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number