| CAS Number | 1153291-73-6 |
| Catalog Number | AG01AIK6(AGN-PC-0WOC1P) |
| Chemical Name | 5-tert-butyl-2-(2-chloroethyl)-1,3-oxazole |
| IUPAC Name | 5-tert-butyl-2-(2-chloroethyl)-1,3-oxazole |
| InChI | InChI=1S/C9H14ClNO/c1-9(2,3)7-6-11-8(12-7)4-5-10/h6H,4-5H2,1-3H3 |
| InChI Key | LSLZHDORVOYYOA-UHFFFAOYSA-N |
| MDL Number | MFCD12131303 |
| Molecular Formula | C9H14ClNO |
| Molecular Weight | 187.6666 |
| SMILES | CC(C1OC(CCCl)=NC=1)(C)C |
| Synonyms | 5-tert-butyl-2-(2-chloroethyl)-1,3-oxazole,
1153291-73-6,
SCHEMBL3467447,
ZINC35739972,
AKOS009569903,
EN300-78051,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.667g/mol |
| Monoisotopic Mass | 187.076g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number