| CAS Number | 57263-21-5 |
| Catalog Number | AG01A27M(AGN-PC-00K09M) |
| Chemical Name | 1-Bromo-4-(2-methylbutan-2-yl)benzene |
| IUPAC Name | 1-bromo-4-(2-methylbutan-2-yl)benzene |
| InChI | InChI=1S/C11H15Br/c1-4-11(2,3)9-5-7-10(12)8-6-9/h5-8H,4H2,1-3H3 |
| InChI Key | YCXZAZLODXDXSZ-UHFFFAOYSA-N |
| MDL Number | MFCD00028024 |
| Molecular Formula | C11H15Br |
| Molecular Weight | 227.1408 |
| SMILES | CCC(C1=CC=C(Br)C=C1)(C)C |
| Synonyms | 1-bromo-4-(2-methylbutan-2-yl)benzene,
57263-21-5,
1-Bromo-4-(1,1-dimethylpropyl)benzene,
p-Bromo-t-amylbenzene,
SCHEMBL3239365,
YCXZAZLODXDXSZ-UHFFFAOYSA-N,
ZINC82164646,
AKOS015603205,
MCULE-4297865146,
NE41744,
1-(1,1-Dimethylpropyl)-4-bromobenzene,
1-bromo-4-(1,1-dimethylpropyl)-benzene,
Z1501460705,
|
| Complexity | 132 |
| 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 | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number