| CAS Number | 54696-03-6 |
| Catalog Number | AG01C1DE(AGN-PC-006Z95) |
| Chemical Name | 2-(tert-Butyl)benzo[d]oxazole |
| IUPAC Name | 2-tert-butyl-1,3-benzoxazole |
| InChI | InChI=1S/C11H13NO/c1-11(2,3)10-12-8-6-4-5-7-9(8)13-10/h4-7H,1-3H3 |
| InChI Key | IORNPTDHRCBFER-UHFFFAOYSA-N |
| MDL Number | MFCD00456711 |
| Molecular Formula | C11H13NO |
| Molecular Weight | 175.2270 |
| SMILES | C(C)(C)(C)C=1OC2=C(N1)C=CC=C2 |
| Synonyms | 2-tert-butyl-1,3-benzoxazole,
2-tert-Butylbenzoxazole,
54696-03-6,
SCHEMBL1792867,
ZINC34484471,
AKOS022468345,
Z1255372856,
2-tert-butylbenzooxazole,
2-(tert-butyl)benzo[d]oxazole,
CID11332777,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.231g/mol |
| Monoisotopic Mass | 175.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number