| CAS Number | 1305322-94-4 |
| Catalog Number | AG009WXV(AGN-PC-0WA2UJ) |
| Chemical Name | (S)-2-(4-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole |
| IUPAC Name | (4S)-2-(4-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole |
| InChI | InChI=1S/C13H16BrNO/c1-13(2,3)11-8-16-12(15-11)9-4-6-10(14)7-5-9/h4-7,11H,8H2,1-3H3/t11-/m1/s1 |
| InChI Key | JLWQQWPXJJGMSW-LLVKDONJSA-N |
| MDL Number | MFCD18914519 |
| Molecular Formula | C13H16BrNO |
| Molecular Weight | 282.1762 |
| SMILES | CC([C@H]1COC(=N1)c1ccc(cc1)Br)(C)C |
| Synonyms | 1305322-94-4,
(S)-2-(4-Bromophenyl)-4-t-butyl-4,5-dihydrooxazole,
(S)-2-(4-Bromophenyl)-4-tert-butyl-4,5-dihydrooxazole,
MFCD18914519,
ZINC74934302,
Z9503,
A-3008,
(S)-2-(4-BROMOPHENYL)-4-(TERT-BUTYL)-4,5-DIHYDROOXAZOLE,
C13H16BrNO,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.181g/mol |
| Monoisotopic Mass | 281.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number