| CAS Number | 1161497-35-3 |
| Catalog Number | AG01C84O |
| Chemical Name | 4-bromo-2-ethyl-1-methylbenzene |
| IUPAC Name | 4-bromo-2-ethyl-1-methylbenzene |
| InChI | InChI=1S/C9H11Br/c1-3-8-6-9(10)5-4-7(8)2/h4-6H,3H2,1-2H3 |
| InChI Key | JMLZSHJHQWSWPS-UHFFFAOYSA-N |
| MDL Number | MFCD26744057 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | c1(c(ccc(c1)Br)C)CC |
| Synonyms | 4-bromo-2-ethyl-1-methylbenzene,
1161497-35-3,
SCHEMBL8365116,
AKOS024072261,
ZINC197937943,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.091g/mol |
| Monoisotopic Mass | 198.004g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number