| CAS Number | 1311316-26-3 |
| Catalog Number | AG01AIZ9 |
| Chemical Name | 2-[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]acetic acid |
| InChI | InChI=1S/C11H7F2NO3/c12-8-2-1-6(3-9(8)13)11-14-7(5-17-11)4-10(15)16/h1-3,5H,4H2,(H,15,16) |
| InChI Key | DRCROMDBZGXPTP-UHFFFAOYSA-N |
| MDL Number | MFCD18917423 |
| Molecular Formula | C11H7F2NO3 |
| Molecular Weight | 239.1750 |
| SMILES | OC(CC1N=C(C2=CC(F)=C(F)C=C2)OC=1)=O |
| Synonyms | 2-[2-(3,4-difluorophenyl)-1,3-oxazol-4-yl]acetic acid,
1311316-26-3,
ZINC68593553,
AKOS022629947,
MCULE-4349597380,
NE51580,
EN300-79401,
Z1259340004,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.178g/mol |
| Monoisotopic Mass | 239.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number