3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid - CAS 500025-07-0
Catalog: |
BB064733 |
Product Name: |
3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
CAS: |
500025-07-0 |
Synonyms: |
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic Acid; 3-(3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl)propanoic acid; 3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]-propanoic acid |
IUPAC Name: | 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
Description: | 3-[3-(4-Fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid |
Molecular Weight: | 236.2 |
Molecular Formula: | C11H9FN2O3 |
Canonical SMILES: | C1=CC(=CC=C1C2=NOC(=N2)CCC(=O)O)F |
InChI: | InChI=1S/C11H9FN2O3/c12-8-3-1-7(2-4-8)11-13-9(17-14-11)5-6-10(15)16/h1-4H,5-6H2,(H,15,16) |
InChI Key: | BUMRHSFCLPSTJE-UHFFFAOYSA-N |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.05972032 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.05972032 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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