| CAS Number | 943528-40-3 |
| Catalog Number | AG003AFU(AGN-PC-0WONCY) |
| Chemical Name | 2,4,6-Tribromo-3,5-difluorobenzonitrile |
| IUPAC Name | 2,4,6-tribromo-3,5-difluorobenzonitrile |
| InChI | InChI=1S/C7Br3F2N/c8-3-2(1-13)4(9)7(12)5(10)6(3)11 |
| InChI Key | AQPZRWDNSAKHNA-UHFFFAOYSA-N |
| MDL Number | MFCD27933955 |
| Molecular Formula | C7Br3F2N |
| Molecular Weight | 375.7904 |
| SMILES | BrC1=C(C#N)C(=C(C(=C1F)Br)F)Br |
| Synonyms | 2,4,6-Tribromo-3,5-difluorobenzonitrile,
943528-40-3,
SCHEMBL13826034,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 374.753g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 375.793g/mol |
| Monoisotopic Mass | 372.755g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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Certificate of Analysis
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