| CAS Number | 1798731-87-9 |
| Catalog Number | AG01BFSE |
| Chemical Name | 4-[5-(Difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline hydrochloride |
| IUPAC Name | 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline;hydrochloride |
| InChI | InChI=1S/C9H7F2N3O.ClH/c10-7(11)9-13-8(14-15-9)5-1-3-6(12)4-2-5;/h1-4,7H,12H2;1H |
| InChI Key | IQSVQMGFDPRCPA-UHFFFAOYSA-N |
| MDL Number | MFCD28118707 |
| Molecular Formula | C9H8ClF2N3O |
| Molecular Weight | 247.6291 |
| SMILES | Cl.NC1=CC=C(C2N=C(C(F)F)ON=2)C=C1 |
| Synonyms | 4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]aniline hydrochloride,
1798731-87-9,
Z1901071040,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.63g/mol |
| Monoisotopic Mass | 247.032g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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