| CAS Number | 1876585-56-6 |
| Catalog Number | AG01B542 |
| Chemical Name | 1-Bromo-4-chloro-2-(chloromethyl)-5-methylbenzene |
| IUPAC Name | 1-bromo-4-chloro-2-(chloromethyl)-5-methylbenzene |
| InChI | InChI=1S/C8H7BrCl2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-3H,4H2,1H3 |
| InChI Key | NAHSZFYKAANQAU-UHFFFAOYSA-N |
| MDL Number | MFCD29991910 |
| Molecular Formula | C8H7BrCl2 |
| Molecular Weight | 253.9512 |
| SMILES | CC1=C(Cl)C=C(CCl)C(Br)=C1 |
| Synonyms | 1-bromo-4-chloro-2-(chloromethyl)-5-methylbenzene,
1876585-56-6,
ZINC306490550,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.911g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.948g/mol |
| Monoisotopic Mass | 251.911g/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