| CAS Number | 1824054-90-1 |
| Catalog Number | AG01C5GL |
| Chemical Name | [1-(2-bromoethoxy)propyl]benzene |
| IUPAC Name | 1-(2-bromoethoxy)propylbenzene |
| InChI | InChI=1S/C11H15BrO/c1-2-11(13-9-8-12)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3 |
| InChI Key | JZKNTOUBAIFTNT-UHFFFAOYSA-N |
| MDL Number | MFCD28132779 |
| Molecular Formula | C11H15BrO |
| Molecular Weight | 243.1402 |
| SMILES | CCC(C1=CC=CC=C1)OCCBr |
| Synonyms | [1-(2-bromoethoxy)propyl]benzene,
1824054-90-1,
AKOS026727919,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.144g/mol |
| Monoisotopic Mass | 242.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number