| CAS Number | 1138444-85-5 |
| Catalog Number | AG0090O2(AGN-PC-0WBR9J) |
| Chemical Name | 2-Bromo-4-(1,1-difluoroethyl)-1-fluorobenzene |
| IUPAC Name | 2-bromo-4-(1,1-difluoroethyl)-1-fluorobenzene |
| InChI | InChI=1S/C8H6BrF3/c1-8(11,12)5-2-3-7(10)6(9)4-5/h2-4H,1H3 |
| InChI Key | TXLFKKQZPURBRK-UHFFFAOYSA-N |
| MDL Number | MFCD11845795 |
| Molecular Formula | C8H6BrF3 |
| Molecular Weight | 239.0324 |
| SMILES | CC(C1=CC(Br)=C(F)C=C1)(F)F |
| Synonyms | 2-Bromo-4-(1,1-difluoroethyl)-1-fluorobenzene,
1138444-85-5,
CTK7C1159,
DTXSID40672321,
9145AC,
BBL103615,
STL557425,
ZINC63361097,
AKOS005256199,
FS-4834,
TR-057111,
C8H6BrF3,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.96g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.035g/mol |
| Monoisotopic Mass | 237.96g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
Lot Number