| CAS Number | 445303-71-9 |
| Catalog Number | AG01EW1A(AGN-PC-03MNO9) |
| Chemical Name | 4-Bromo-2-(1,1-difluoroethyl)-1-fluorobenzene stabilized over potassium carbonate |
| IUPAC Name | 4-bromo-2-(1,1-difluoroethyl)-1-fluorobenzene |
| InChI | InChI=1S/C8H6BrF3/c1-8(11,12)6-4-5(9)2-3-7(6)10/h2-4H,1H3 |
| InChI Key | VRSBHZMIJMLFDU-UHFFFAOYSA-N |
| MDL Number | MFCD27950870 |
| Molecular Formula | C8H6BrF3 |
| Molecular Weight | 239.0324 |
| SMILES | BrC1=CC(=C(C=C1)F)C(C)(F)F |
| Synonyms | 445303-71-9,
4-Bromo-2-(1,1-difluoroethyl)-1-fluorobenzene,
4-BROMO-2-(1,1-DIFLUOROETHYL)-1-FLUORO-BENZENE,
4-Bromo-2-(1,1-difluoroethyl)-1-fluorobenzene stabilized over potassium carbonate,
SCHEMBL4435565,
ZINC143673259,
A1-12681,
Benzene, 4-bromo-2-(1,1-difluoroethyl)-1-fluoro-,
|
| 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