| CAS Number | 933244-58-7 |
| Catalog Number | AG0191MV(AGN-PC-0WBQ9E) |
| Chemical Name | 5-(Benzofuran-2-yl)-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C10H7N3O2/c11-10-13-12-9(15-10)8-5-6-3-1-2-4-7(6)14-8/h1-5H,(H2,11,13) |
| InChI Key | MCQZCCPTTFOHBP-UHFFFAOYSA-N |
| MDL Number | MFCD09940004 |
| Molecular Formula | C10H7N3O2 |
| Molecular Weight | 201.1815 |
| SMILES | NC1OC(C2OC3=C(C=CC=C3)C=2)=NN=1 |
| Synonyms | 5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-amine,
933244-58-7,
5-(benzofuran-2-yl)-1,3,4-oxadiazol-2-amine,
AOD101335,
ZINC19481800,
AKOS000183426,
CCG-130443,
MCULE-5918069956,
L-2990,
F2182-0006,
Z1954800904,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.185g/mol |
| Monoisotopic Mass | 201.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number