| CAS Number | 1349716-41-1 |
| Catalog Number | AG01FD1M(AGN-PC-3H49O3) |
| Chemical Name | 4-Bromo-3-chloro-2-methylbenzonitrile |
| IUPAC Name | 4-bromo-3-chloro-2-methylbenzonitrile |
| InChI | InChI=1S/C8H5BrClN/c1-5-6(4-11)2-3-7(9)8(5)10/h2-3H,1H3 |
| InChI Key | BRRXSWUWAHOPBN-UHFFFAOYSA-N |
| MDL Number | MFCD19686177 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | N#Cc1ccc(c(c1C)Cl)Br |
| Synonyms | 4-Bromo-3-chloro-2-methylbenzonitrile,
1349716-41-1,
SCHEMBL17442903,
ZINC67802810,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.489g/mol |
| Monoisotopic Mass | 228.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number