| CAS Number | 99835-26-4 |
| Catalog Number | AG01ELCS(AGN-PC-00MYRA) |
| Chemical Name | 2-bromo-4,6-dichlorobenzonitrile |
| IUPAC Name | 2-bromo-4,6-dichlorobenzonitrile |
| InChI | InChI=1S/C7H2BrCl2N/c8-6-1-4(9)2-7(10)5(6)3-11/h1-2H |
| InChI Key | YEYBWCZPVMFKKZ-UHFFFAOYSA-N |
| MDL Number | MFCD31668158 |
| Molecular Formula | C7H2BrCl2N |
| Molecular Weight | 250.9075 |
| SMILES | ClC1=CC(Br)=C(C#N)C(Cl)=C1 |
| Synonyms | SCHEMBL2947899,
2-bromo-4,6-dichlorobenzonitrile,
99835-26-4,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.875g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.904g/mol |
| Monoisotopic Mass | 248.875g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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