| CAS Number | 1345471-93-3 |
| Catalog Number | AG009WKS |
| Chemical Name | 5-Bromo-6-fluoro-1-isopropyl-1,2,3-benzotriazole |
| IUPAC Name | 5-bromo-6-fluoro-1-propan-2-ylbenzotriazole |
| InChI | InChI=1S/C9H9BrFN3/c1-5(2)14-9-4-7(11)6(10)3-8(9)12-13-14/h3-5H,1-2H3 |
| InChI Key | XLWBVPJNIOOHIS-UHFFFAOYSA-N |
| MDL Number | MFCD20441855 |
| Molecular Formula | C9H9BrFN3 |
| Molecular Weight | 258.0903 |
| SMILES | Brc1cc2nnn(c2cc1F)C(C)C |
| Synonyms | 5-Bromo-6-fluoro-1-isopropyl-1,2,3-benzotriazole,
1345471-93-3,
ACMC-209bvs,
5-Bromo-6-fluoro-1-(propan-2-yl)-1H-benzotriazole,
CTK8B0251,
DTXSID80718353,
ANW-19670,
MFCD20441855,
ZINC74937771,
AKOS025394318,
5-Bromo-6-fluoro-1-isopropylbenzotriazole,
TC-108415,
Z9796,
K-4252,
C9H9BrFN3,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.094g/mol |
| Monoisotopic Mass | 256.996g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number