| CAS Number | 1016497-55-4 |
| Catalog Number | AG019UML(AGN-PC-0WO5YY) |
| Chemical Name | 5-[(3-Fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| IUPAC Name | 5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine |
| InChI | InChI=1S/C9H8FN3O/c10-7-3-1-2-6(4-7)5-8-12-13-9(11)14-8/h1-4H,5H2,(H2,11,13) |
| InChI Key | POVVTWJLINHXTN-UHFFFAOYSA-N |
| MDL Number | MFCD09814180 |
| Molecular Formula | C9H8FN3O |
| Molecular Weight | 193.1777 |
| SMILES | NC1OC(CC2=CC(F)=CC=C2)=NN=1 |
| Synonyms | 5-[(3-fluorophenyl)methyl]-1,3,4-oxadiazol-2-amine,
1016497-55-4,
CTK7C1843,
AC1Q5332,
AOD100956,
ZINC19405763,
AKOS000162149,
MCULE-4565723861,
NE45520,
EN300-42145,
AB01002296-01,
J-000461,
Z426041538,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.181g/mol |
| Monoisotopic Mass | 193.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number