| CAS Number | 1105060-20-5 |
| Catalog Number | AG00HBQJ |
| Chemical Name | 4-fluoro-2-(trifluoromethoxy)benzaldehyde |
| IUPAC Name | 4-fluoro-2-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H4F4O2/c9-6-2-1-5(4-13)7(3-6)14-8(10,11)12/h1-4H |
| InChI Key | KZUNURBZYZYVMT-UHFFFAOYSA-N |
| MDL Number | MFCD24842738 |
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.1098 |
| SMILES | FC1=CC(=C(C=O)C=C1)OC(F)(F)F |
| Synonyms | 4-fluoro-2-(trifluoromethoxy)benzaldehyde,
1105060-20-5,
SCHEMBL1220795,
KZUNURBZYZYVMT-UHFFFAOYSA-N,
KS-000011KM,
MFCD24842738,
ZINC71624484,
AKOS027253550,
FCH2328019,
NE17141,
4-Fluoro-2-trifluoromethoxy-benzaldehyde,
AS-42580,
4-fluoranyl-2-(trifluoromethyloxy)benzaldehyde,
EN300-119230,
A843462,
4-Fluoro-2-(trifluoromethyl)benzaldehyde,
90176-80-0,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 208.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 208.112g/mol |
| Monoisotopic Mass | 208.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number