| CAS Number | 1152531-95-7 |
| Catalog Number | AG01AHS0 |
| Chemical Name | 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxylic acid |
| IUPAC Name | 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C10H5F2NO3/c11-5-2-1-3-6(12)9(5)7-4-8(10(14)15)16-13-7/h1-4H,(H,14,15) |
| InChI Key | KFNLXJCGJPSLIF-UHFFFAOYSA-N |
| MDL Number | MFCD10694989 |
| Molecular Formula | C10H5F2NO3 |
| Molecular Weight | 225.1484 |
| SMILES | O=C(C1=CC(C2=C(F)C=CC=C2F)=NO1)O |
| Synonyms | 3-(2,6-difluorophenyl)-1,2-oxazole-5-carboxylic acid,
1152531-95-7,
SCHEMBL19555995,
ZINC34972856,
AKOS005205673,
MCULE-2942367044,
NE62080,
EN300-75623,
Z1696860239,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.151g/mol |
| Monoisotopic Mass | 225.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number