| CAS Number | 1160574-05-9 |
| Catalog Number | AG01FEJU(AGN-PC-3H4A2C) |
| Chemical Name | 3,5-Dibromo-2-fluorobenzonitrile |
| IUPAC Name | 3,5-dibromo-2-fluorobenzonitrile |
| InChI | InChI=1S/C7H2Br2FN/c8-5-1-4(3-11)7(10)6(9)2-5/h1-2H |
| InChI Key | FGPDDOQNFYELRS-UHFFFAOYSA-N |
| MDL Number | MFCD11846057 |
| Molecular Formula | C7H2Br2FN |
| Molecular Weight | 278.9039 |
| SMILES | BrC=1C(=C(C#N)C=C(C1)Br)F |
| Synonyms | 3,5-Dibromo-2-fluorobenzonitrile,
1160574-05-9,
SCHEMBL16581287,
MFCD11846057,
ZINC36532897,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.852g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.906g/mol |
| Monoisotopic Mass | 276.854g/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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