| CAS Number | 1282022-66-5 |
| Catalog Number | AG01EKHS |
| Chemical Name | 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid |
| IUPAC Name | 4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid |
| InChI | InChI=1S/C10H6F2N2O3/c11-7(12)9-14-13-8(17-9)5-1-3-6(4-2-5)10(15)16/h1-4,7H,(H,15,16) |
| InChI Key | UHNMCIOSDWSVKX-UHFFFAOYSA-N |
| MDL Number | MFCD19482239 |
| Molecular Formula | C10H6F2N2O3 |
| Molecular Weight | 240.1630 |
| SMILES | OC(C1=CC=C(C2OC(C(F)F)=NN=2)C=C1)=O |
| Synonyms | AKOS012688544,
4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]benzoic acid,
1282022-66-5,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.166g/mol |
| Monoisotopic Mass | 240.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number