| CAS Number | 1564055-36-2 |
| Catalog Number | AG01B2KF |
| Chemical Name | 3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile |
| IUPAC Name | 3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile |
| InChI | InChI=1S/C9H4BrCl2N/c10-7-2-1-6(5-9(7)12)8(11)3-4-13/h1-3,5H |
| InChI Key | JSLWDBOZZLJZQW-UHFFFAOYSA-N |
| MDL Number | MFCD29991647 |
| Molecular Formula | C9H4BrCl2N |
| Molecular Weight | 276.9448 |
| SMILES | ClC(C1=CC(Cl)=C(Br)C=C1)=CC#N |
| Synonyms | 3-(4-bromo-3-chlorophenyl)-3-chloroprop-2-enenitrile,
1564055-36-2,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.89g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 276.942g/mol |
| Monoisotopic Mass | 274.89g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 3.8 |
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