5-(3-Fluorophenyl)-3H-1,3,4-oxadiazol-2-one - CAS 1044766-12-2
Catalog: |
BB064675 |
Product Name: |
5-(3-Fluorophenyl)-3H-1,3,4-oxadiazol-2-one |
CAS: |
1044766-12-2 |
Synonyms: |
5-(3-Fluorophenyl)-1,3,4-oxadiazol-2(3H)-one; 5-(3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one |
IUPAC Name: | 5-(3-fluorophenyl)-3H-1,3,4-oxadiazol-2-one |
Description: | 5-(3-Fluorophenyl)-3H-1,3,4-oxadiazol-2-one |
Molecular Weight: | 180.14 |
Molecular Formula: | C8H5FN2O2 |
Canonical SMILES: | C1=CC(=CC(=C1)F)C2=NNC(=O)O2 |
InChI: | InChI=1S/C8H5FN2O2/c9-6-3-1-2-5(4-6)7-10-11-8(12)13-7/h1-4H,(H,11,12) |
InChI Key: | GIAHKLKFENXQJK-UHFFFAOYSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.03350557 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.03350557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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