| CAS Number | 1427080-73-6 |
| Catalog Number | AG01AC4N |
| Chemical Name | methyl 2-chloro-4-(2-methoxyethoxy)benzoate |
| IUPAC Name | methyl 2-chloro-4-(2-methoxyethoxy)benzoate |
| InChI | InChI=1S/C11H13ClO4/c1-14-5-6-16-8-3-4-9(10(12)7-8)11(13)15-2/h3-4,7H,5-6H2,1-2H3 |
| InChI Key | XTFDSHYPAJQFCH-UHFFFAOYSA-N |
| MDL Number | MFCD24368739 |
| Molecular Formula | C11H13ClO4 |
| Molecular Weight | 244.6715 |
| SMILES | COCCOC1=CC(Cl)=C(C(OC)=O)C=C1 |
| Synonyms | methyl 2-chloro-4-(2-methoxyethoxy)benzoate,
1427080-73-6,
ZINC95883325,
NE54615,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.671g/mol |
| Monoisotopic Mass | 244.05g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number