| CAS Number | 1414870-67-9 |
| Catalog Number | AG01BVEG |
| Chemical Name | 4-Bromo-2-fluoro-5-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 4-bromo-2-fluoro-5-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3BrF4O/c9-6-2-7(10)4(3-14)1-5(6)8(11,12)13/h1-3H |
| InChI Key | SYXXJSLVINTBHO-UHFFFAOYSA-N |
| MDL Number | MFCD22628190 |
| Molecular Formula | C8H3BrF4O |
| Molecular Weight | 271.0064 |
| SMILES | BrC1=CC(=C(C=O)C=C1C(F)(F)F)F |
| Synonyms | 4-Bromo-2-fluoro-5-(trifluoromethyl)benzaldehyde,
1414870-67-9,
SCHEMBL20638867,
MFCD22628190,
ZINC90413770,
AS-44130,
Z1482,
Q-8557,
C8H3BrF4O,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.93g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.009g/mol |
| Monoisotopic Mass | 269.93g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number