| CAS Number | 26431-57-2 |
| Catalog Number | AG01BTL9 |
| Chemical Name | 2-(Bromomethyl)-4-(trifluoromethyl)furan |
| IUPAC Name | 2-(bromomethyl)-4-(trifluoromethyl)furan |
| InChI | InChI=1S/C6H4BrF3O/c7-2-5-1-4(3-11-5)6(8,9)10/h1,3H,2H2 |
| InChI Key | FZFGCHRSCIKKOX-UHFFFAOYSA-N |
| MDL Number | MFCD28039790 |
| Molecular Formula | C6H4BrF3O |
| Molecular Weight | 228.9946 |
| SMILES | FC(C1C=C(CBr)OC=1)(F)F |
| Synonyms | 2-(bromomethyl)-4-(trifluoromethyl)furan,
26431-57-2,
Furan, 2-(bromomethyl)-4-(trifluoromethyl)-,
SCHEMBL1244243,
FZFGCHRSCIKKOX-UHFFFAOYSA-N,
2-bromomethyl-4-trifluoromethylfuran,
MFCD28039790,
2-bromomethyl-4-trifluoromethyl-furan,
AKOS025214096,
ZINC115643897,
AS-36676,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.996g/mol |
| Monoisotopic Mass | 227.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 13.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number