| CAS Number | 1092460-81-5 |
| Catalog Number | AG008R2S(AGN-PC-07HAZ2) |
| Chemical Name | 5-fluoro-2-trifluoromethoxybenzaldehyde |
| IUPAC Name | 5-fluoro-2-(trifluoromethoxy)benzaldehyde |
| InChI | InChI=1S/C8H4F4O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-4H |
| InChI Key | DLJQIFHQYJCQHB-UHFFFAOYSA-N |
| MDL Number | MFCD11519331 |
| Molecular Formula | C8H4F4O2 |
| Molecular Weight | 208.1098 |
| SMILES | FC1=CC(C=O)=C(OC(F)(F)F)C=C1 |
| Synonyms | 5-fluoro-2-(trifluoromethoxy)benzaldehyde,
1092460-81-5,
MFCD11519331,
5-fluoro-2-trifluoromethoxybenzaldehyde,
CTK7H8882,
SBB093986,
ZINC40448532,
AKOS015853457,
FCH1325532,
JS-4839,
AK-37526,
PC303002,
AJ-102807,
TC-062312,
5-Fluoro-2-(trifluoromethoxy)benzaldehyde, JRD,
|
| 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