| CAS Number | 2169069-89-8 |
| Catalog Number | AG01EHER |
| Chemical Name | 2-Bromo-1-chloro-4-fluoro-3-(trifluoromethyl)benzene |
| IUPAC Name | 2-bromo-1-chloro-4-fluoro-3-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrClF4/c8-6-3(9)1-2-4(10)5(6)7(11,12)13/h1-2H |
| InChI Key | LWVMQOWOTGFQMC-UHFFFAOYSA-N |
| MDL Number | MFCD31653881 |
| Molecular Formula | C7H2BrClF4 |
| Molecular Weight | 277.4414 |
| SMILES | Fc1ccc(c(c1C(F)(F)F)Br)Cl |
| Synonyms | 2-Bromo-1-chloro-4-fluoro-3-(trifluoromethyl)benzene,
2169069-89-8,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.896g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.441g/mol |
| Monoisotopic Mass | 275.896g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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