| CAS Number | 198075-82-0 |
| Catalog Number | AG002B9A(AGN-PC-03LDUX) |
| Chemical Name | 2-tert-Butyl-4-(chloromethyl)-1,3-oxazole |
| IUPAC Name | 2-tert-butyl-4-(chloromethyl)-1,3-oxazole |
| InChI | InChI=1S/C8H12ClNO/c1-8(2,3)7-10-6(4-9)5-11-7/h5H,4H2,1-3H3 |
| InChI Key | JMIGYIRQBGPJLG-UHFFFAOYSA-N |
| MDL Number | MFCD19347391 |
| Molecular Formula | C8H12ClNO |
| Molecular Weight | 173.6400 |
| SMILES | CC(C1OC=C(CCl)N=1)(C)C |
| Synonyms | 2-(tert-butyl)-4-(chloromethyl)oxazole,
198075-82-0,
2-tert-butyl-4-(chloromethyl)-1,3-oxazole,
Oxazole, 4-(chloromethyl)-2-(1,1-dimethylethyl)-,
SCHEMBL3765672,
CTK0E0647,
DTXSID40623151,
JMIGYIRQBGPJLG-UHFFFAOYSA-N,
2-tert-butyl-4-chloromethyloxazole,
ZINC58518593,
2-tert-butyl-4-chloromethyl-1,3-oxazole,
N/A,
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| Complexity | 133 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 173.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 173.64g/mol |
| Monoisotopic Mass | 173.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number