| CAS Number | 1431329-67-7 |
| Catalog Number | AG00HWST(AGN-PC-0WAOYG) |
| Chemical Name | 4-Chloro-3-fluoro-5-(trifluoromethyl)benzaldehyde |
| IUPAC Name | 4-chloro-3-fluoro-5-(trifluoromethyl)benzaldehyde |
| InChI | InChI=1S/C8H3ClF4O/c9-7-5(8(11,12)13)1-4(3-14)2-6(7)10/h1-3H |
| InChI Key | ZRWYPNUFFZTHOX-UHFFFAOYSA-N |
| MDL Number | MFCD23795332 |
| Molecular Formula | C8H3ClF4O |
| Molecular Weight | 226.5554 |
| SMILES | C1(C(=O)[H])C=C(C(F)(F)F)C(Cl)=C(F)C=1 |
| Synonyms | 4-Chloro-3-fluoro-5-(trifluoromethyl)benzaldehyde,
1431329-67-7,
MFCD23795332,
ZINC96029422,
AKOS026670999,
FCH2336690,
JS-5112,
PC302869,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.555g/mol |
| Monoisotopic Mass | 225.981g/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