| CAS Number | 68120-34-3 |
| Catalog Number | AG01AG15(AGN-PC-00K7I0) |
| Chemical Name | 2-Bromo-4-(chloromethyl)-1-methylbenzene |
| IUPAC Name | 2-bromo-4-(chloromethyl)-1-methylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-6-2-3-7(5-10)4-8(6)9/h2-4H,5H2,1H3 |
| InChI Key | IGIMRHMZHOJBKZ-UHFFFAOYSA-N |
| MDL Number | MFCD12025351 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=C(Br)C=C(CCl)C=C1 |
| Synonyms | 2-bromo-4-(chloromethyl)-1-methylbenzene,
68120-34-3,
SCHEMBL11495289,
3-Bromo-4-methylbenzyl chloride,
ZINC57939650,
AKOS017565498,
NE45755,
N/A,
|
| 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 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number