2-(1,2,4-Oxadiazol-5-yl)benzoic Acid - CAS 1250245-87-4
Catalog: |
BB058525 |
Product Name: |
2-(1,2,4-Oxadiazol-5-yl)benzoic Acid |
CAS: |
1250245-87-4 |
Synonyms: |
2-(1,2,4-oxadiazol-5-yl)benzoic acid |
IUPAC Name: | 2-(1,2,4-oxadiazol-5-yl)benzoic acid |
Description: | 2-(1,2,4-Oxadiazol-5-yl)benzoic Acid is a chemical reagent used in the preparation of pharmaceutical compounds. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=NC=NO2)C(=O)O |
InChI: | InChI=1S/C9H6N2O3/c12-9(13)7-4-2-1-3-6(7)8-10-5-11-14-8/h1-5H,(H,12,13) |
InChI Key: | PUSPGOUVRXUKOL-UHFFFAOYSA-N |
References: | Blake, A. et al. J. Chem. Soc. Perkin Trans., 1, 589 (1989). |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 76.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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