| CAS Number | 91961-51-2 |
| Catalog Number | AG01BGGG |
| Chemical Name | 3-(2-Chlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-(2-chlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C12H10ClNO3/c1-2-9-10(12(15)16)11(14-17-9)7-5-3-4-6-8(7)13/h3-6H,2H2,1H3,(H,15,16) |
| InChI Key | LKGZNDDUHHKCIB-UHFFFAOYSA-N |
| MDL Number | MFCD19092941 |
| Molecular Formula | C12H10ClNO3 |
| Molecular Weight | 251.6657 |
| SMILES | CCC1=C(C(O)=O)C(C2=C(Cl)C=CC=C2)=NO1 |
| Synonyms | 91961-51-2,
3-(2-chlorophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid,
3-(2-chlorophenyl)-5-ethylisoxazole-4-carboxylic acid,
ZINC70426690,
AKOS013476386,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 251.666g/mol |
| Monoisotopic Mass | 251.035g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number