| CAS Number | 1432678-50-6 |
| Catalog Number | AG01A363 |
| Chemical Name | 5-(Trifluoromethyl)-1,3-oxazole-4-carboxylic acid |
| IUPAC Name | 5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C5H2F3NO3/c6-5(7,8)3-2(4(10)11)9-1-12-3/h1H,(H,10,11) |
| InChI Key | XRRZHYACDZYENX-UHFFFAOYSA-N |
| MDL Number | MFCD23701781 |
| Molecular Formula | C5H2F3NO3 |
| Molecular Weight | 181.0695 |
| SMILES | FC(C1=C(N=CO1)C(=O)O)(F)F |
| Synonyms | 5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid,
1432678-50-6,
SCHEMBL17859552,
XRRZHYACDZYENX-UHFFFAOYSA-N,
ZINC82396222,
NE61846,
5-(trifluoromethyl)oxazole-4-carboxylic acid,
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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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number