| CAS Number | 1504754-13-5 |
| Catalog Number | AG01C1AM |
| Chemical Name | 5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-amine |
| IUPAC Name | 5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-amine |
| InChI | InChI=1S/C9H7F2N3O/c10-6-2-1-5(3-7(6)11)4-8-13-9(12)14-15-8/h1-3H,4H2,(H2,12,14) |
| InChI Key | XERHJAVVPHTSLX-UHFFFAOYSA-N |
| MDL Number | MFCD23887106 |
| Molecular Formula | C9H7F2N3O |
| Molecular Weight | 211.1682 |
| SMILES | NC1N=C(CC2=CC(F)=C(F)C=C2)ON=1 |
| Synonyms | 5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-amine,
1504754-13-5,
ZINC87447562,
AKOS018946443,
Z1400367436,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.172g/mol |
| Monoisotopic Mass | 211.056g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number