| CAS Number | 1381944-45-1 |
| Catalog Number | AG00186Z(AGN-PC-0WAB2A) |
| Chemical Name | 5-Bromo-1-cyclopentyl-6-fluoro-1,2,3-benzotriazole |
| IUPAC Name | 5-bromo-1-cyclopentyl-6-fluorobenzotriazole |
| InChI | InChI=1S/C11H11BrFN3/c12-8-5-10-11(6-9(8)13)16(15-14-10)7-3-1-2-4-7/h5-7H,1-4H2 |
| InChI Key | HCZVZONBBCIZSB-UHFFFAOYSA-N |
| MDL Number | MFCD22375037 |
| Molecular Formula | C11H11BrFN3 |
| Molecular Weight | 284.1275 |
| SMILES | Brc1cc2nnn(c2cc1F)C1CCCC1 |
| Synonyms | 5-Bromo-1-cyclopentyl-6-fluoro-1,2,3-benzotriazole,
1381944-45-1,
ACMC-209cg1,
C11H11BrFN3,
CTK8B0715,
DTXSID70743038,
ANW-20399,
MFCD22375037,
ZINC85477293,
AKOS025394351,
TC-109144,
V2819,
K-4468,
5-Bromo-1-cyclopentyl-6-fluoro-1H-benzotriazole,
1H-Benzotriazole, 5-bromo-1-cyclopentyl-6-fluoro-,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.132g/mol |
| Monoisotopic Mass | 283.012g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 30.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number