| CAS Number | 1099598-18-1 |
| Catalog Number | AG01FODB(AGN-PC-0WBZLF) |
| Chemical Name | 2-Bromo-1-fluoro-4-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 2-bromo-1-fluoro-4-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H5BrF4/c9-6-3-5(1-2-7(6)10)4-8(11,12)13/h1-3H,4H2 |
| InChI Key | RLLUHBAOHDDFML-UHFFFAOYSA-N |
| MDL Number | MFCD11226531 |
| Molecular Formula | C8H5BrF4 |
| Molecular Weight | 257.0229 |
| SMILES | Fc1ccc(cc1Br)CC(F)(F)F |
| Synonyms | 2-BROMO-1-FLUORO-4-(2,2,2-TRIFLUOROETHYL)BENZENE,
1099598-18-1,
SCHEMBL20523716,
CTK7C1162,
BBL100757,
STL554551,
ZINC66329375,
AKOS005255607,
TR-055187,
Y-9897,
|
| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.026g/mol |
| Monoisotopic Mass | 255.951g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number