| CAS Number | 1798713-42-4 |
| Catalog Number | AG01BDWD |
| Chemical Name | methyl 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate |
| IUPAC Name | methyl 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate |
| InChI | InChI=1S/C6H6F2N2O3/c1-12-4(11)2-3-9-10-6(13-3)5(7)8/h5H,2H2,1H3 |
| InChI Key | SJJNMJZRVQCDJF-UHFFFAOYSA-N |
| MDL Number | MFCD28118274 |
| Molecular Formula | C6H6F2N2O3 |
| Molecular Weight | 192.1202 |
| SMILES | COC(CC1OC(C(F)F)=NN=1)=O |
| Synonyms | methyl 2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]acetate,
1798713-42-4,
ZINC98095475,
AKOS033648976,
Z1889909891,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.122g/mol |
| Monoisotopic Mass | 192.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 65.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
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Certificate of Analysis
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