| CAS Number | 1060816-01-4 |
| Catalog Number | AG00960F(AGN-PC-0WO634) |
| Chemical Name | 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C5H2F3NO3/c6-5(7,8)4-9-2(1-12-4)3(10)11/h1H,(H,10,11) |
| InChI Key | MGJCQGMJTNTRSM-UHFFFAOYSA-N |
| MDL Number | MFCD13189374 |
| Molecular Formula | C5H2F3NO3 |
| Molecular Weight | 181.0695 |
| SMILES | O=C(C1=COC(C(F)(F)F)=N1)O |
| Synonyms | 1060816-01-4,
2-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid,
2-(TRIFLUOROMETHYL)OXAZOLE-4-CARBOXYLIC ACID,
SCHEMBL2481569,
CTK8E3443,
ZINC74302884,
AKOS022706702,
AB68291,
NE55365,
SC-86886,
2-(trifluoroMethyl)oxazole-4-carboxylicacid,
TX-016101,
Z2048190023,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.07g/mol |
| Monoisotopic Mass | 180.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number