| CAS Number | 1138444-86-6 |
| Catalog Number | AG01C99D(AGN-PC-0WC0AY) |
| Chemical Name | 2-Bromo-1-(1,1-difluoroethyl)-4-fluorobenzene |
| IUPAC Name | 2-bromo-1-(1,1-difluoroethyl)-4-fluorobenzene |
| InChI | InChI=1S/C8H6BrF3/c1-8(11,12)6-3-2-5(10)4-7(6)9/h2-4H,1H3 |
| InChI Key | IWWXVLPLYCRPJI-UHFFFAOYSA-N |
| MDL Number | MFCD11845796 |
| Molecular Formula | C8H6BrF3 |
| Molecular Weight | 239.0324 |
| SMILES | CC(C1=C(Br)C=C(F)C=C1)(F)F |
| Synonyms | 2-Bromo-1-(1,1-difluoroethyl)-4-fluorobenzene,
1138444-86-6,
SCHEMBL15933087,
CTK7B8488,
IWWXVLPLYCRPJI-UHFFFAOYSA-N,
BBL101243,
STL555039,
ZINC63361098,
AKOS005257710,
FS-4753,
TR-057112,
Y-9381,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number