| CAS Number | 76579-47-0 |
| Catalog Number | AG00JF5X(AGN-PC-0NJQX4) |
| Chemical Name | 3-Methoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde |
| IUPAC Name | 3-methoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde |
| InChI | InChI=1S/C10H9F3O3/c1-15-9-4-7(5-14)2-3-8(9)16-6-10(11,12)13/h2-5H,6H2,1H3 |
| InChI Key | SICBRZYTULOVSI-UHFFFAOYSA-N |
| MDL Number | MFCD08558309 |
| Molecular Formula | C10H9F3O3 |
| Molecular Weight | 234.1719 |
| SMILES | COC1=C(OCC(F)(F)F)C=CC(C=O)=C1 |
| Synonyms | 3-methoxy-4-(2,2,2-trifluoroethoxy)benzaldehyde,
76579-47-0,
AC1Q475U,
SCHEMBL1414781,
CTK6J5996,
SICBRZYTULOVSI-UHFFFAOYSA-N,
MFCD08558309,
SBB023858,
STK350914,
ZINC12394577,
AKOS000192793,
4-trifluoroethoxy-3-methoxybenzaldehyde,
MCULE-4928553367,
NE45241,
ST45115702,
EN300-49438,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.174g/mol |
| Monoisotopic Mass | 234.05g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number