| CAS Number | 95349-72-7 |
| Catalog Number | AG01AG4W(AGN-PC-041ILW) |
| Chemical Name | 1-Bromo-2-chloro-4-(chloromethyl)benzene |
| IUPAC Name | 1-bromo-2-chloro-4-(chloromethyl)benzene |
| InChI | InChI=1S/C7H5BrCl2/c8-6-2-1-5(4-9)3-7(6)10/h1-3H,4H2 |
| InChI Key | YFEABSOSDPYMCL-UHFFFAOYSA-N |
| MDL Number | MFCD17015613 |
| Molecular Formula | C7H5BrCl2 |
| Molecular Weight | 239.9246 |
| SMILES | ClCC1=CC(Cl)=C(Br)C=C1 |
| Synonyms | 1-bromo-2-chloro-4-(chloromethyl)benzene,
95349-72-7,
SCHEMBL1535743,
4-Bromo-3-chlorobenzyl chloride,
YFEABSOSDPYMCL-UHFFFAOYSA-N,
ZINC84192663,
AKOS017548485,
NE41325,
1-bromo-2-chloro-4-(chloromethyl)-benzene,
|
| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.895g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.921g/mol |
| Monoisotopic Mass | 237.895g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number