| CAS Number | 1365271-72-2 |
| Catalog Number | AG0011YY(AGN-PC-0WAB2E) |
| Chemical Name | 5-Bromo-1-ethyl-6-fluoro-1,2,3-benzotriazole |
| IUPAC Name | 5-bromo-1-ethyl-6-fluorobenzotriazole |
| InChI | InChI=1S/C8H7BrFN3/c1-2-13-8-4-6(10)5(9)3-7(8)11-12-13/h3-4H,2H2,1H3 |
| InChI Key | GUHUOBOWMKHRIR-UHFFFAOYSA-N |
| MDL Number | MFCD21609509 |
| Molecular Formula | C8H7BrFN3 |
| Molecular Weight | 244.0637 |
| SMILES | CCn1nnc2c1cc(F)c(c2)Br |
| Synonyms | 5-Bromo-1-ethyl-6-fluoro-1,2,3-benzotriazole,
1365271-72-2,
5-Bromo-1-ethyl-6-fluoro-1H-benzotriazole,
C8H7BrFN3,
ACMC-209c6n,
SCHEMBL20512577,
CTK8B0494,
DTXSID70742849,
ANW-20061,
MFCD21609509,
ZINC85477009,
AKOS026672932,
TC-108806,
V2562,
1H-Benzotriazole, 5-bromo-1-ethyl-6-fluoro-,
B-8429,
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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 | 242.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.067g/mol |
| Monoisotopic Mass | 242.981g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number