3-(4-Methylphenyl)-1,2,5-oxadiazole - CAS 10349-07-2
Catalog: |
BB001150 |
Product Name: |
3-(4-Methylphenyl)-1,2,5-oxadiazole |
CAS: |
10349-07-2 |
Synonyms: |
3-(4-methylphenyl)-1,2,5-oxadiazole; 3-(4-methylphenyl)-1,2,5-oxadiazole |
IUPAC Name: | 3-(4-methylphenyl)-1,2,5-oxadiazole |
Description: | 3-(4-Methylphenyl)-1,2,5-oxadiazole (CAS# 10349-07-2 ) is a useful research chemical. |
Molecular Weight: | 160.17 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NON=C2 |
InChI: | InChI=1S/C9H8N2O/c1-7-2-4-8(5-3-7)9-6-10-12-11-9/h2-6H,1H3 |
InChI Key: | CAAXAYBYQGQGFA-UHFFFAOYSA-N |
LogP: | 2.04500 |
Publication Number | Title | Priority Date |
EP-0562833-A1 | Anti-ulcer pyridyloxy derivatives, their preparation and uses | 19920323 |
EP-0562833-B1 | Anti-ulcer pyridyloxy derivatives, their preparation and uses | 19920323 |
US-5616579-A | Anti-ulcer pyridyloxy derivatives, their preparation and uses | 19920323 |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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