| CAS Number | 953718-97-3 |
| Catalog Number | AG01A8BF |
| Chemical Name | 5-(2-Fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-(2-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C11H8FNO4/c1-16-6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-17-10/h2-5H,1H3,(H,14,15) |
| InChI Key | JJOTVYNDKCWFOX-UHFFFAOYSA-N |
| MDL Number | MFCD09729786 |
| Molecular Formula | C11H8FNO4 |
| Molecular Weight | 237.1839 |
| SMILES | COC1=CC(F)=C(C2ON=C(C(O)=O)C=2)C=C1 |
| Synonyms | 5-(2-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid,
953718-97-3,
AC1Q48IB,
SCHEMBL19814817,
CTK7A0781,
ZINC22168098,
AKOS000138466,
MCULE-2826764774,
NE56734,
EN300-61231,
Z1259155853,
3-Isoxazolecarboxylic acid, 5-(2-fluoro-4-methoxyphenyl),
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.186g/mol |
| Monoisotopic Mass | 237.044g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number