| CAS Number | 1021245-66-8 |
| Catalog Number | AG01A8TO(AGN-PC-0WO33R) |
| Chemical Name | 3-(2,6-Difluorophenyl)-1,2-oxazol-5-amine |
| IUPAC Name | 3-(2,6-difluorophenyl)-1,2-oxazol-5-amine |
| InChI | InChI=1S/C9H6F2N2O/c10-5-2-1-3-6(11)9(5)7-4-8(12)14-13-7/h1-4H,12H2 |
| InChI Key | CGCNPTCUWDPPFG-UHFFFAOYSA-N |
| MDL Number | MFCD11156289 |
| Molecular Formula | C9H6F2N2O |
| Molecular Weight | 196.1535 |
| SMILES | NC1=CC(C2=C(F)C=CC=C2F)=NO1 |
| Synonyms | 3-(2,6-difluorophenyl)-1,2-oxazol-5-amine,
1021245-66-8,
ZINC20078647,
AKOS000262152,
NE35583,
|
| Complexity | 195 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.157g/mol |
| Monoisotopic Mass | 196.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number