| CAS Number | 1166820-46-7 |
| Catalog Number | AG01BI86 |
| Chemical Name | 1-Bromo-2-difluoromethyl-3-fluorobenzene |
| IUPAC Name | 1-bromo-2-(difluoromethyl)-3-fluorobenzene |
| InChI | InChI=1S/C7H4BrF3/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,7H |
| InChI Key | CRUJWSKZSKRRLV-UHFFFAOYSA-N |
| MDL Number | MFCD14698533 |
| Molecular Formula | C7H4BrF3 |
| Molecular Weight | 225.0059 |
| SMILES | FC(C1=C(Br)C=CC=C1F)F |
| Synonyms | 1-Bromo-2-difluoromethyl-3-fluorobenzene,
1166820-46-7,
1-bromo-2-(difluoromethyl)-3-fluorobenzene,
SCHEMBL2268624,
DTXSID20673311,
ZINC79387274,
AKOS024095310,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.945g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.008g/mol |
| Monoisotopic Mass | 223.945g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number