| CAS Number | 70996-53-1 |
| Catalog Number | AG01A24X(AGN-PC-0WO45J) |
| Chemical Name | 2-(1-chloroethyl)-5-(4-chlorophenyl)-1,3-oxazole |
| IUPAC Name | 2-(1-chloroethyl)-5-(4-chlorophenyl)-1,3-oxazole |
| InChI | InChI=1S/C11H9Cl2NO/c1-7(12)11-14-6-10(15-11)8-2-4-9(13)5-3-8/h2-7H,1H3 |
| InChI Key | XKCNPRPSWNAOPX-UHFFFAOYSA-N |
| MDL Number | MFCD11182480 |
| Molecular Formula | C11H9Cl2NO |
| Molecular Weight | 242.1013 |
| SMILES | CC(C1OC(C2=CC=C(Cl)C=C2)=CN=1)Cl |
| Synonyms | 2-(1-chloroethyl)-5-(4-chlorophenyl)-1,3-oxazole,
70996-53-1,
AKOS009317095,
NE15062,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.099g/mol |
| Monoisotopic Mass | 241.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number