| CAS Number | 1427380-13-9 |
| Catalog Number | AG01A3WB(AGN-PC-0WO3W3) |
| Chemical Name | 3-(2,4,6-Trifluorophenyl)-1,2-oxazol-5-amine |
| IUPAC Name | 3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C9H5F3N2O/c10-4-1-5(11)9(6(12)2-4)7-3-8(13)15-14-7/h1-3H,13H2 |
| InChI Key | WZZRFNWFPYULIK-UHFFFAOYSA-N |
| MDL Number | MFCD21162222 |
| Molecular Formula | C9H5F3N2O |
| Molecular Weight | 214.1440 |
| SMILES | NC1=CC(C2=C(F)C=C(F)C=C2F)=NO1 |
| Synonyms | 3-(2,4,6-trifluorophenyl)-1,2-oxazol-5-amine,
1427380-13-9,
ZINC83446371,
AKOS014431686,
NE57635,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.147g/mol |
| Monoisotopic Mass | 214.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number