| CAS Number | 145441-16-3 |
| Catalog Number | AG007JV7(AGN-PC-0N3EMZ) |
| Chemical Name | 5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-(fluoromethyl)-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C5H4FNO3/c6-2-3-1-4(5(8)9)7-10-3/h1H,2H2,(H,8,9) |
| InChI Key | WVUKMWOGVJZCSS-UHFFFAOYSA-N |
| MDL Number | MFCD18818566 |
| Molecular Formula | C5H4FNO3 |
| Molecular Weight | 145.0886 |
| SMILES | OC(C1=NOC(CF)=C1)=O |
| Synonyms | 145441-16-3,
3-Isoxazolecarboxylicacid, 5-(fluoromethyl)-,
5-fluoromethyl-3-isoxazolecarboxylic acid,
5-(fluoromethyl)-1,2-oxazole-3-carboxylic Acid,
ACMC-20n4jq,
SCHEMBL6370697,
CTK0G9754,
DTXSID80438807,
WVUKMWOGVJZCSS-UHFFFAOYSA-N,
AKOS006379046,
5-(fluoromethyl)isoxazole-3-carboxylic acid,
CID10374574,
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| Complexity | 141 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 145.018g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 145.089g/mol |
| Monoisotopic Mass | 145.018g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number