| CAS Number | 215519-35-0 |
| Catalog Number | AG01AM8J |
| Chemical Name | 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine |
| IUPAC Name | 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine |
| InChI | InChI=1S/C9H8FN3O/c10-7-3-1-6(2-4-7)5-8-12-9(11)14-13-8/h1-4H,5H2,(H2,11,12,13) |
| InChI Key | SOEJAETWBKZKOE-UHFFFAOYSA-N |
| MDL Number | MFCD18255030 |
| Molecular Formula | C9H8FN3O |
| Molecular Weight | 193.1777 |
| SMILES | NC1ON=C(CC2=CC=C(F)C=C2)N=1 |
| Synonyms | 3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-amine,
215519-35-0,
AC1MDTV4,
3-(4-fluorobenzyl)-1,2,4-oxadiazol-5-amine,
Oprea1_202577,
ZINC66214,
AKOS011759931,
SC-33627,
SC-52100,
Z2216303114,
ZINC00066214,
CID2795651,
|
| Complexity | 185 |
| 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 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number