| CAS Number | 1780417-29-9 |
| Catalog Number | AG01BHWP |
| Chemical Name | 4-(Difluoromethyl)-3-fluorobenzaldehyde |
| IUPAC Name | 4-(difluoromethyl)-3-fluorobenzaldehyde |
| InChI | InChI=1S/C8H5F3O/c9-7-3-5(4-12)1-2-6(7)8(10)11/h1-4,8H |
| InChI Key | HTIKBKYQIGNSFZ-UHFFFAOYSA-N |
| MDL Number | MFCD28519660 |
| Molecular Formula | C8H5F3O |
| Molecular Weight | 174.1199 |
| SMILES | FC(C1=C(C=C(C=O)C=C1)F)F |
| Synonyms | 4-(difluoromethyl)-3-fluorobenzaldehyde,
1780417-29-9,
ZINC212570558,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.122g/mol |
| Monoisotopic Mass | 174.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number