| CAS Number | 1695359-94-4 |
| Catalog Number | AG01B29P |
| Chemical Name | 1-(4-Bromo-3-chloro-2-fluorophenyl)-2,2,2-trifluoroethanone |
| IUPAC Name | 1-(4-bromo-3-chloro-2-fluorophenyl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C8H2BrClF4O/c9-4-2-1-3(6(11)5(4)10)7(15)8(12,13)14/h1-2H |
| InChI Key | YHJAXGCGUHHHOJ-UHFFFAOYSA-N |
| MDL Number | MFCD29959938 |
| Molecular Formula | C8H2BrClF4O |
| Molecular Weight | 305.4515 |
| SMILES | FC1=C(C(C(F)(F)F)=O)C=CC(Br)=C1Cl |
| Synonyms | 1-(4-bromo-3-chloro-2-fluorophenyl)-2,2,2-trifluoroethan-1-one,
1695359-94-4,
ZINC236135587,
|
| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.891g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 305.451g/mol |
| Monoisotopic Mass | 303.891g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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