| CAS Number | 1349716-15-9 |
| Catalog Number | AG01FD1K(AGN-PC-0WOLZL) |
| Chemical Name | 4-Bromo-5-chloro-2-fluorobenzonitrile |
| IUPAC Name | 4-bromo-5-chloro-2-fluorobenzonitrile |
| InChI | InChI=1S/C7H2BrClFN/c8-5-2-7(10)4(3-11)1-6(5)9/h1-2H |
| InChI Key | MWETUEUSVCAKPX-UHFFFAOYSA-N |
| MDL Number | MFCD19686183 |
| Molecular Formula | C7H2BrClFN |
| Molecular Weight | 234.4529 |
| SMILES | N#CC1=CC(Cl)=C(Br)C=C1F |
| Synonyms | 4-Bromo-5-chloro-2-fluorobenzonitrile,
1349716-15-9,
ZINC67802822,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.904g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.452g/mol |
| Monoisotopic Mass | 232.904g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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