5-Bromo-6-fluoro-1-isopropyl-1,2,3-benzotriazole - CAS 1345471-93-3
Catalog: |
BB071726 |
Product Name: |
5-Bromo-6-fluoro-1-isopropyl-1,2,3-benzotriazole |
CAS: |
1345471-93-3 |
Synonyms: |
5-Bromo-6-fluoro-1-isopropyl-1,2,3-benzotriazole; 5-bromo-6-fluoro-1-propan-2-ylbenzotriazole; 5-Bromo-6-fluoro-1-(propan-2-yl)-1H-benzotriazole |
IUPAC Name: | 5-bromo-6-fluoro-1-propan-2-ylbenzotriazole |
Description: | 5-Bromo-6-fluoro-1-isopropyl-1,2,3-benzotriazole |
Molecular Weight: | 258.09 |
Molecular Formula: | C9H9BrFN3 |
Canonical SMILES: | CC(C)N1C2=CC(=C(C=C2N=N1)Br)F |
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 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.99639 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.99639 |
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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