| CAS Number | 932894-91-2 |
| Catalog Number | AG01A1H5 |
| Chemical Name | 5-(2,4-Dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-[(2,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C11H7Cl2NO4/c12-6-1-2-10(8(13)3-6)17-5-7-4-9(11(15)16)14-18-7/h1-4H,5H2,(H,15,16) |
| InChI Key | DLQMVHXGHAIKJB-UHFFFAOYSA-N |
| MDL Number | MFCD10485648 |
| Molecular Formula | C11H7Cl2NO4 |
| Molecular Weight | 288.0836 |
| SMILES | O=C(C1=NOC(COC2=CC=C(Cl)C=C2Cl)=C1)O |
| Synonyms | 5-(2,4-dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic acid,
932894-91-2,
ZINC24548927,
AKOS010656739,
MCULE-6907332343,
NE28178,
Z1474025945,
5-[(2,4-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.08g/mol |
| Monoisotopic Mass | 286.975g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number