| CAS Number | 289039-24-3 |
| Catalog Number | AG01BYVG |
| Chemical Name | 3-Bromo-4-chloroethylbenzene |
| IUPAC Name | 2-bromo-1-chloro-4-ethylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-2-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3 |
| InChI Key | VQFRIIZTQOGROW-UHFFFAOYSA-N |
| MDL Number | MFCD00672956 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CCC1=CC(Br)=C(Cl)C=C1 |
| Synonyms | 3-Bromo-4-chloroethylbenzene,
2-BROMO-1-CHLORO-4-ETHYLBENZENE,
289039-24-3,
SCHEMBL12188730,
CTK6D1144,
VQFRIIZTQOGROW-UHFFFAOYSA-N,
ZINC2567832,
AS03141,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.506g/mol |
| Monoisotopic Mass | 217.95g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number