| CAS Number | 1099598-20-5 |
| Catalog Number | AG01FODD(AGN-PC-0WBZLI) |
| Chemical Name | 1-Bromo-4-(2,2-difluoropropyl)benzene |
| IUPAC Name | 1-bromo-4-(2,2-difluoropropyl)benzene |
| InChI | InChI=1S/C9H9BrF2/c1-9(11,12)6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3 |
| InChI Key | VIEJQUIQUJATPR-UHFFFAOYSA-N |
| MDL Number | MFCD11226517 |
| Molecular Formula | C9H9BrF2 |
| Molecular Weight | 235.0686 |
| SMILES | CC(Cc1ccc(cc1)Br)(F)F |
| Synonyms | 1-BROMO-4-(2,2-DIFLUOROPROPYL)BENZENE,
1099598-20-5,
SCHEMBL16685648,
CTK6A7002,
BBL100853,
STL554647,
ZINC66329384,
AKOS005255677,
TR-055193,
Z-0483,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.072g/mol |
| Monoisotopic Mass | 233.986g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number