| CAS Number | 866555-95-5 |
| Catalog Number | AG01A9KI |
| Chemical Name | 5-(Difluoromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| IUPAC Name | 5-(difluoromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole |
| InChI | InChI=1S/C9H5F2N3O3/c10-7(11)9-12-8(13-17-9)5-1-3-6(4-2-5)14(15)16/h1-4,7H |
| InChI Key | HWILFGCWJOJUHU-UHFFFAOYSA-N |
| MDL Number | MFCD06195447 |
| Molecular Formula | C9H5F2N3O3 |
| Molecular Weight | 241.1511 |
| SMILES | [O-][N+](C1=CC=C(C2N=C(C(F)F)ON=2)C=C1)=O |
| Synonyms | 5-(difluoromethyl)-3-(4-nitrophenyl)-1,2,4-oxadiazole,
866555-95-5,
AC1Q1XJR,
STL173169,
ZINC36611147,
AKOS005368713,
MCULE-9222068467,
NE30018,
ST45085075,
EN300-65335,
Z1259273359,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.154g/mol |
| Monoisotopic Mass | 241.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number