| CAS Number | 1286429-98-8 |
| Catalog Number | AG019TBY |
| Chemical Name | 4-[2-(3-chlorophenoxy)ethoxy]-3-ethoxybenzaldehyde |
| IUPAC Name | 4-[2-(3-chlorophenoxy)ethoxy]-3-ethoxybenzaldehyde |
| InChI | InChI=1S/C17H17ClO4/c1-2-20-17-10-13(12-19)6-7-16(17)22-9-8-21-15-5-3-4-14(18)11-15/h3-7,10-12H,2,8-9H2,1H3 |
| InChI Key | POTNIYCYKMVXPV-UHFFFAOYSA-N |
| MDL Number | MFCD21602541 |
| Molecular Formula | C17H17ClO4 |
| Molecular Weight | 320.7675 |
| SMILES | CCOC1=C(OCCOC2=CC(Cl)=CC=C2)C=CC(C=O)=C1 |
| Synonyms | 4-[2-(3-chlorophenoxy)ethoxy]-3-ethoxybenzaldehyde,
1286429-98-8,
ZINC60386133,
AKOS007968415,
NE25116,
|
| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.769g/mol |
| Monoisotopic Mass | 320.082g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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