| CAS Number | 1416980-23-8 |
| Catalog Number | AG01FGHJ(AGN-PC-3H4AKB) |
| Chemical Name | 4-(Bromomethyl)-3-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 4-(bromomethyl)-3-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C9H6BrF3O/c10-4-7-2-1-6(5-14)3-8(7)9(11,12)13/h1-3,5H,4H2 |
| InChI Key | XXRPWIVHTDFBQV-UHFFFAOYSA-N |
| MDL Number | MFCD00063140 |
| Molecular Formula | C9H6BrF3O |
| Molecular Weight | 267.0425 |
| SMILES | BrCc1ccc(cc1C(F)(F)F)C=O |
| Synonyms | 4-(Bromomethyl)-3-(trifluoromethyl)benzaldehyde,
1416980-23-8,
SCHEMBL14329422,
MFCD28014065,
ZINC97439003,
FCH2569529,
PC500471,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.045g/mol |
| Monoisotopic Mass | 265.955g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number