| CAS Number | 101046-57-5 |
| Catalog Number | AG01C4P6(AGN-PC-00MRBP) |
| Chemical Name | ethyl 2-[(4-chlorophenoxy)methyl]prop-2-enoate |
| IUPAC Name | ethyl 2-[(4-chlorophenoxy)methyl]prop-2-enoate |
| InChI | InChI=1S/C12H13ClO3/c1-3-15-12(14)9(2)8-16-11-6-4-10(13)5-7-11/h4-7H,2-3,8H2,1H3 |
| InChI Key | NPRHZIHNFIZGGG-UHFFFAOYSA-N |
| MDL Number | MFCD19655595 |
| Molecular Formula | C12H13ClO3 |
| Molecular Weight | 240.6828 |
| SMILES | CCOC(C(COC1=CC=C(Cl)C=C1)=C)=O |
| Synonyms | 101046-57-5,
ethyl 2-[(4-chlorophenoxy)methyl]prop-2-enoate,
ethyl alpha-p-chlorophenoxymethylacrylate,
NPRHZIHNFIZGGG-UHFFFAOYSA-,
ZINC34069199,
AKOS013434517,
EN300-260902,
2-[(4-Chlorophenoxy)methyl]propenoic acid ethyl ester,
InChI=1/C12H13ClO3/c1-3-15-12(14)9(2)8-16-11-6-4-10(13)5-7-11/h4-7H,2-3,8H2,1H3,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.683g/mol |
| Monoisotopic Mass | 240.055g/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