| CAS Number | 2090958-22-6 |
| Catalog Number | AG01ELGX |
| Chemical Name | 2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile |
| IUPAC Name | 2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H7BrClN/c1-6-4-9(11)7(2-3-12)5-8(6)10/h4-5H,2H2,1H3 |
| InChI Key | BKCZGGDBZVLXOT-UHFFFAOYSA-N |
| MDL Number | MFCD31691078 |
| Molecular Formula | C9H7BrClN |
| Molecular Weight | 244.5156 |
| SMILES | CC1=C(Br)C=C(CC#N)C(Cl)=C1 |
| Synonyms | 2-(5-bromo-2-chloro-4-methylphenyl)acetonitrile,
2090958-22-6,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.516g/mol |
| Monoisotopic Mass | 242.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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