5-Bromo-1-tert-butyl-6-fluorobenzotriazole - CAS 1365271-86-8
Catalog: |
BB071243 |
Product Name: |
5-Bromo-1-tert-butyl-6-fluorobenzotriazole |
CAS: |
1365271-86-8 |
Synonyms: |
5-Bromo-1-tert-butyl-6-fluorobenzotriazole;5-Bromo-1-tert-butyl-6-fluoro-1H-benzotriazole |
IUPAC Name: | 5-bromo-1-tert-butyl-6-fluorobenzotriazole |
Description: | 5-Bromo-1-tert-butyl-6-fluorobenzotriazole |
Molecular Weight: | 272.12 |
Molecular Formula: | C10H11BrFN3 |
Canonical SMILES: | CC(C)(C)N1C2=CC(=C(C=C2N=N1)Br)F |
InChI: | InChI=1S/C10H11BrFN3/c1-10(2,3)15-9-5-7(12)6(11)4-8(9)13-14-15/h4-5H,1-3H3 |
InChI Key: | QFOIHMRBGJXXBH-UHFFFAOYSA-N |
Complexity: | 243 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 271.01204 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 271.01204 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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