| CAS Number | 1935503-24-4 |
| Catalog Number | AG01AFHL |
| Chemical Name | 3-(difluoromethyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(difluoromethyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C5H3F2NO3/c6-4(7)2-1-3(5(9)10)11-8-2/h1,4H,(H,9,10) |
| InChI Key | YPRXRMMWUDMDGD-UHFFFAOYSA-N |
| MDL Number | MFCD31615817 |
| Molecular Formula | C5H3F2NO3 |
| Molecular Weight | 163.0790 |
| SMILES | FC(c1noc(c1)C(=O)O)F |
| Synonyms | 1935503-24-4,
SCHEMBL19556530,
AKOS034126633,
3-(difluoromethyl)-1,2-oxazole-5-carboxylic acid,
3-(DIFLUOROMETHYL)ISOXAZOLE-5-CARBOXYLIC ACID,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.008g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.08g/mol |
| Monoisotopic Mass | 163.008g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number