| CAS Number | 951801-89-1 |
| Catalog Number | AG01BVMN |
| Chemical Name | 5-ethoxy-2-fluoro-4-methoxybenzaldehyde |
| IUPAC Name | 5-ethoxy-2-fluoro-4-methoxybenzaldehyde |
| InChI | InChI=1S/C10H11FO3/c1-3-14-10-4-7(6-12)8(11)5-9(10)13-2/h4-6H,3H2,1-2H3 |
| InChI Key | CYTWCKBXVAXGBQ-UHFFFAOYSA-N |
| MDL Number | MFCD19440163 |
| Molecular Formula | C10H11FO3 |
| Molecular Weight | 198.1909 |
| SMILES | CCOC1=C(OC)C=C(F)C(C=O)=C1 |
| Synonyms | 5-ethoxy-2-fluoro-4-methoxybenzaldehyde,
951801-89-1,
Benzaldehyde, 5-ethoxy-2-fluoro-4-methoxy-,
SCHEMBL1620757,
CYTWCKBXVAXGBQ-UHFFFAOYSA-N,
ZINC116689989,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.193g/mol |
| Monoisotopic Mass | 198.069g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number