| CAS Number | 425394-71-4 |
| Catalog Number | AG01EVX9(AGN-PC-3H482B) |
| Chemical Name | 3-Bromo-6-chloro-o-xylene |
| IUPAC Name | 1-bromo-4-chloro-2,3-dimethylbenzene |
| InChI | InChI=1S/C8H8BrCl/c1-5-6(2)8(10)4-3-7(5)9/h3-4H,1-2H3 |
| InChI Key | PEDJITWDIJFXGC-UHFFFAOYSA-N |
| MDL Number | MFCD11846011 |
| Molecular Formula | C8H8BrCl |
| Molecular Weight | 219.5061 |
| SMILES | CC1=C(Cl)C=CC(Br)=C1C |
| Synonyms | 1-bromo-4-chloro-2,3-dimethylbenzene,
425394-71-4,
3-Bromo-6-chloro-o-xylene,
SCHEMBL15430786,
MFCD11846011,
ZINC66314793,
1-Bromo-4-chloro-2,3-dimethyl-benzene,
1-?Bromo-?4-?chloro-?2,?3-?dimethyl-benzene,
|
| Complexity | 116 |
| 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 | 0 |
| 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