| CAS Number | 1410382-45-4 |
| Catalog Number | AG01AC9J |
| Chemical Name | Ethyl 6-(4-chlorophenoxy)hexanoate |
| IUPAC Name | ethyl 6-(4-chlorophenoxy)hexanoate |
| InChI | InChI=1S/C14H19ClO3/c1-2-17-14(16)6-4-3-5-11-18-13-9-7-12(15)8-10-13/h7-10H,2-6,11H2,1H3 |
| InChI Key | VFCVLDTUBBHKKY-UHFFFAOYSA-N |
| MDL Number | MFCD20156644 |
| Molecular Formula | C14H19ClO3 |
| Molecular Weight | 270.7519 |
| SMILES | CCOC(CCCCCOC1=CC=C(Cl)C=C1)=O |
| Synonyms | ethyl 6-(4-chlorophenoxy)hexanoate,
1410382-45-4,
ZINC71292233,
AKOS013615614,
NE61662,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.102g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.753g/mol |
| Monoisotopic Mass | 270.102g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number