| CAS Number | 1208075-19-7 |
| Catalog Number | AG01FFK0(AGN-PC-3H4A64) |
| Chemical Name | 3-Bromo-5-ethyltoluene |
| IUPAC Name | 1-bromo-3-ethyl-5-methylbenzene |
| InChI | InChI=1S/C9H11Br/c1-3-8-4-7(2)5-9(10)6-8/h4-6H,3H2,1-2H3 |
| InChI Key | GHSIXUBBYMWOOU-UHFFFAOYSA-N |
| MDL Number | MFCD12547777 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | c1c(cc(cc1C)CC)Br |
| Synonyms | 3-Bromo-5-ethyltoluene,
1208075-19-7,
SCHEMBL12514812,
1-bromo-3-ethyl-5-methylbenzene,
DTXSID40679254,
ZINC65356634,
AKOS006346086,
|
| 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