| CAS Number | 668970-74-9 |
| Catalog Number | AG01FLSD(AGN-PC-05OVT2) |
| Chemical Name | methyl 5-(2-fluorophenyl)isoxazole-3-carboxylate |
| IUPAC Name | methyl 5-(2-fluorophenyl)-1,2-oxazole-3-carboxylate |
| InChI | InChI=1S/C11H8FNO3/c1-15-11(14)9-6-10(16-13-9)7-4-2-3-5-8(7)12/h2-6H,1H3 |
| InChI Key | UJELOQIDIAROPA-UHFFFAOYSA-N |
| MDL Number | MFCD11986430 |
| Molecular Formula | C11H8FNO3 |
| Molecular Weight | 221.1845 |
| SMILES | O=C(OC)C1=NOC(C2=CC=CC=C2F)=C1 |
| Synonyms | methyl 5-(2-fluorophenyl)isoxazole-3-carboxylate,
668970-74-9,
F2135-0554,
methyl 5-(2-fluorophenyl)-1,2-oxazole-3-carboxylate,
SCHEMBL6818243,
UJELOQIDIAROPA-UHFFFAOYSA-N,
ZINC26421046,
AKOS005208312,
MCULE-3198078846,
L-3609,
3-isoxazolecarboxylic acid,5-(2-fluorophenyl)-,methyl ester,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.187g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number