| CAS Number | 743456-82-8 |
| Catalog Number | AG00ICII |
| Chemical Name | 3-Chloro-5-ethoxy-4-propoxybenzaldehyde |
| IUPAC Name | 3-chloro-5-ethoxy-4-propoxybenzaldehyde |
| InChI | InChI=1S/C12H15ClO3/c1-3-5-16-12-10(13)6-9(8-14)7-11(12)15-4-2/h6-8H,3-5H2,1-2H3 |
| InChI Key | QZBKKPVUZGCHTN-UHFFFAOYSA-N |
| MDL Number | MFCD02256411 |
| Molecular Formula | C12H15ClO3 |
| Molecular Weight | 242.6987 |
| SMILES | CCCOC1=C(OCC)C=C(C=O)C=C1Cl |
| Synonyms | 3-chloro-5-ethoxy-4-propoxybenzaldehyde,
743456-82-8,
AC1Q2YCX,
AC1M22NM,
CTK6E5723,
ZINC2725738,
MFCD02256411,
AKOS000295061,
MCULE-4195752197,
NE12079,
EN300-09182,
ZINC02725738,
CID2160983,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.699g/mol |
| Monoisotopic Mass | 242.071g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number