| CAS Number | 1225900-23-1 |
| Catalog Number | AG019ZLI |
| Chemical Name | 5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid |
| IUPAC Name | 5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid |
| InChI | InChI=1S/C11H7Cl2NO4/c12-7-2-1-3-8(13)10(7)17-5-6-4-9(11(15)16)14-18-6/h1-4H,5H2,(H,15,16) |
| InChI Key | WUKXRQYIGCFXEK-UHFFFAOYSA-N |
| MDL Number | MFCD13481123 |
| Molecular Formula | C11H7Cl2NO4 |
| Molecular Weight | 288.0836 |
| SMILES | OC(C1=NOC(COC2=C(Cl)C=CC=C2Cl)=C1)=O |
| Synonyms | 5-(2,6-dichlorophenoxymethyl)-1,2-oxazole-3-carboxylic acid,
1225900-23-1,
ZINC41464303,
AKOS010657202,
MCULE-1842787809,
NE20843,
RP29978,
BRD-K40560546-001-01-9,
Z1413780483,
5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazole-3-carboxylic acid,
|
| Complexity | 295 |
| 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