| CAS Number | 59770-99-9 |
| Catalog Number | AG01A6EV(AGN-PC-00NK7N) |
| Chemical Name | 1-(1-Bromoethyl)-4-(propan-2-yl)benzene |
| IUPAC Name | 1-(1-bromoethyl)-4-propan-2-ylbenzene |
| InChI | InChI=1S/C11H15Br/c1-8(2)10-4-6-11(7-5-10)9(3)12/h4-9H,1-3H3 |
| InChI Key | RZANZYMHOGTILI-UHFFFAOYSA-N |
| MDL Number | MFCD11103126 |
| Molecular Formula | C11H15Br |
| Molecular Weight | 227.1408 |
| SMILES | CC(C)c1ccc(cc1)C(C)Br |
| Synonyms | 1-(1-bromoethyl)-4-(propan-2-yl)benzene,
59770-99-9,
SCHEMBL5695686,
1-Isopropyl-4-(1-bromoethyl)benzene,
NE21321,
1-(1-bromoethyl)-4-isopropylbenzene,
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.145g/mol |
| Monoisotopic Mass | 226.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
Lot Number