| CAS Number | 1288998-92-4 |
| Catalog Number | AG01FHAA(AGN-PC-3H4ANL) |
| Chemical Name | 5-Bromo-2-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 5-bromo-2-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H4BrF3O/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-4H |
| InChI Key | PXLIYMKVPSMSHH-UHFFFAOYSA-N |
| MDL Number | MFCD28140566 |
| Molecular Formula | C8H4BrF3O |
| Molecular Weight | 253.0160 |
| SMILES | O=CC1=CC(Br)=CC=C1C(F)(F)F |
| Synonyms | 5-BROMO-2-(TRIFLUOROMETHYL)BENZALDEHYDE,
1288998-92-4,
MFCD28140566,
ZINC169796881,
FCH2903068,
PC500759,
PS-11518,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 251.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.018g/mol |
| Monoisotopic Mass | 251.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number