| CAS Number | 1099115-94-2 |
| Catalog Number | AG01AI3O |
| Chemical Name | 1-(2-bromoethoxy)-3-tert-butylbenzene |
| IUPAC Name | 1-(2-bromoethoxy)-3-tert-butylbenzene |
| InChI | InChI=1S/C12H17BrO/c1-12(2,3)10-5-4-6-11(9-10)14-8-7-13/h4-6,9H,7-8H2,1-3H3 |
| InChI Key | OUZRRZSDBMZAMM-UHFFFAOYSA-N |
| MDL Number | MFCD11647764 |
| Molecular Formula | C12H17BrO |
| Molecular Weight | 257.1668 |
| SMILES | CC(C1=CC(OCCBr)=CC=C1)(C)C |
| Synonyms | 1-(2-bromoethoxy)-3-tert-butylbenzene,
1099115-94-2,
ZINC37428842,
AKOS009371912,
NE44737,
EN300-76666,
|
| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.171g/mol |
| Monoisotopic Mass | 256.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number