| CAS Number | 251912-75-1 |
| Catalog Number | AG019Z1H |
| Chemical Name | 3-(Trifluoromethyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C5H2F3NO3/c6-5(7,8)3-1-2(4(10)11)12-9-3/h1H,(H,10,11) |
| InChI Key | XJNNIVRCBNOKLS-UHFFFAOYSA-N |
| MDL Number | MFCD08690724 |
| Molecular Formula | C5H2F3NO3 |
| Molecular Weight | 181.0695 |
| SMILES | OC(C1ON=C(C(F)(F)F)C=1)=O |
| Synonyms | 251912-75-1,
3-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid,
3-(Trifluoromethyl)isoxazole-5-carboxylic acid,
SCHEMBL2565757,
MFCD08690724,
ZINC20446387,
AKOS006290259,
FT-0701072,
3-(Trifluoromethyl)-5-isoxazolecarboxylic acid,
Z2130644209,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number