3-(2-Fluorophenyl)-5-methyl-1,2,4-oxadiazole - CAS 1426958-50-0
Catalog: |
BB064667 |
Product Name: |
3-(2-Fluorophenyl)-5-methyl-1,2,4-oxadiazole |
CAS: |
1426958-50-0 |
Synonyms: |
3-(2-Fluorophenyl)-5-methyl-1,2,4-oxadiazole |
IUPAC Name: | 3-(2-fluorophenyl)-5-methyl-1,2,4-oxadiazole |
Description: | 3-(2-Fluorophenyl)-5-methyl-1,2,4-oxadiazole |
Molecular Weight: | 178.16 |
Molecular Formula: | C9H7FN2O |
Canonical SMILES: | CC1=NC(=NO1)C2=CC=CC=C2F |
InChI: | InChI=1S/C9H7FN2O/c1-6-11-9(12-13-6)7-4-2-3-5-8(7)10/h2-5H,1H3 |
InChI Key: | HYUAHGMWRNVPOP-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.05424101 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.05424101 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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