| CAS Number | 1315365-58-2 |
| Catalog Number | AG01AJ3O(AGN-PC-0WO87C) |
| Chemical Name | 5-(1-chloroethyl)-3-ethyl-4,5-dihydro-1,2-oxazole |
| IUPAC Name | 5-(1-chloroethyl)-3-ethyl-4,5-dihydro-1,2-oxazole |
| InChI | InChI=1S/C7H12ClNO/c1-3-6-4-7(5(2)8)10-9-6/h5,7H,3-4H2,1-2H3 |
| InChI Key | AVNMMECIALSKPZ-UHFFFAOYSA-N |
| MDL Number | MFCD19382046 |
| Molecular Formula | C7H12ClNO |
| Molecular Weight | 161.6293 |
| SMILES | CCC1CC(C(Cl)C)ON=1 |
| Synonyms | 5-(1-chloroethyl)-3-ethyl-4,5-dihydro-1,2-oxazole,
1315365-58-2,
AKOS017406458,
NE16496,
EN300-79689,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.629g/mol |
| Monoisotopic Mass | 161.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number