| CAS Number | 1228376-18-8 |
| Catalog Number | AG01FCZ5(AGN-PC-3H49O1) |
| Chemical Name | 4-Bromo-5-chloro-2-methylbenzonitrile |
| IUPAC Name | 4-bromo-5-chloro-2-methylbenzonitrile |
| InChI | InChI=1S/C8H5BrClN/c1-5-2-7(9)8(10)3-6(5)4-11/h2-3H,1H3 |
| InChI Key | MOZNNMJCKMEPEN-UHFFFAOYSA-N |
| MDL Number | MFCD18917160 |
| Molecular Formula | C8H5BrClN |
| Molecular Weight | 230.4890 |
| SMILES | BrC1=CC(=C(C#N)C=C1Cl)C |
| Synonyms | 4-Bromo-5-chloro-2-methylbenzonitrile,
1228376-18-8,
SCHEMBL2480303,
DTXSID60693215,
MOZNNMJCKMEPEN-UHFFFAOYSA-N,
ZINC67802613,
2-Methyl-4-bromo-5-chloro benzonitrile,
2-methyl-4-bromo-5-chlorobenzonitrile,
|
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number