5-Bromo-1-ethyl-6-fluoro-1,2,3-benzotriazole - CAS 1365271-72-2
Catalog: |
BB061927 |
Product Name: |
5-Bromo-1-ethyl-6-fluoro-1,2,3-benzotriazole |
CAS: |
1365271-72-2 |
Synonyms: |
5-Bromo-1-ethyl-6-fluoro-1,2,3-benzotriazole; 5-bromo-1-ethyl-6-fluorobenzotriazole; 5-Bromo-1-ethyl-6-fluoro-1H-benzotriazole |
IUPAC Name: | 5-bromo-1-ethyl-6-fluorobenzotriazole |
Description: | 5-Bromo-1-ethyl-6-fluoro-1,2,3-benzotriazole |
Molecular Weight: | 244.06 |
Molecular Formula: | C8H7BrFN3 |
Canonical SMILES: | CCN1C2=CC(=C(C=C2N=N1)Br)F |
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 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.98074 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.98074 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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