1-Cyclopropyl-6-fluoro-1,2,3-benzotriazole - CAS 1365271-45-9
Catalog: |
BB062651 |
Product Name: |
1-Cyclopropyl-6-fluoro-1,2,3-benzotriazole |
CAS: |
1365271-45-9 |
Synonyms: |
1-Cyclopropyl-6-fluoro-1,2,3-benzotriazole; 1-cyclopropyl-6-fluorobenzotriazole; 1-Cyclopropyl-6-fluoro-1H-benzotriazole |
IUPAC Name: | 1-cyclopropyl-6-fluorobenzotriazole |
Description: | 1-Cyclopropyl-6-fluoro-1,2,3-benzotriazole |
Molecular Weight: | 177.18 |
Molecular Formula: | C9H8FN3 |
Canonical SMILES: | C1CC1N2C3=C(C=CC(=C3)F)N=N2 |
InChI: | InChI=1S/C9H8FN3/c10-6-1-4-8-9(5-6)13(12-11-8)7-2-3-7/h1,4-5,7H,2-3H2 |
InChI Key: | APVNCXZNFSZHQH-UHFFFAOYSA-N |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.07022543 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.07022543 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 30.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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