| CAS Number | 774605-57-1 |
| Catalog Number | AG01BH68(AGN-PC-0FLZGT) |
| Chemical Name | 3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid |
| IUPAC Name | 3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid |
| InChI | InChI=1S/C13H11Cl2NO3/c1-2-4-9-11(13(17)18)12(16-19-9)10-7(14)5-3-6-8(10)15/h3,5-6H,2,4H2,1H3,(H,17,18) |
| InChI Key | LNPRSLPLJGGYGI-UHFFFAOYSA-N |
| MDL Number | MFCD19092969 |
| Molecular Formula | C13H11Cl2NO3 |
| Molecular Weight | 300.1373 |
| SMILES | CCCC1=C(C(O)=O)C(C2=C(Cl)C=CC=C2Cl)=NO1 |
| Synonyms | 3-(2,6-dichlorophenyl)-5-propyl-1,2-oxazole-4-carboxylic acid,
774605-57-1,
SCHEMBL6081703,
ZINC78703199,
AKOS013476851,
Z1966489177,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.135g/mol |
| Monoisotopic Mass | 299.012g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number