| CAS Number | 7116-35-0 |
| Catalog Number | AG005X5L(AGN-PC-00466U) |
| Chemical Name | Ethyl 3-(3-chlorophenyl)propanoate |
| IUPAC Name | ethyl 3-(3-chlorophenyl)propanoate |
| InChI | InChI=1S/C11H13ClO2/c1-2-14-11(13)7-6-9-4-3-5-10(12)8-9/h3-5,8H,2,6-7H2,1H3 |
| InChI Key | KQQZLHYCICBIIE-UHFFFAOYSA-N |
| MDL Number | MFCD07772955 |
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.6727 |
| SMILES | ClC=1C=C(C=CC1)CCC(=O)OCC |
| Synonyms | 7116-35-0,
Ethyl 3-(3-chlorophenyl)propanoate,
Benzenepropanoic acid, 3-chloro-, ethyl ester,
3-(3-CHLORO-PHENYL)-PROPANOIC ACID ETHYL ESTER,
3-(3-Chloro-phenyl)-propionic acid ethyl ester,
SCHEMBL901671,
CTK5D3596,
DTXSID50570046,
KQQZLHYCICBIIE-UHFFFAOYSA-N,
ethyl 3-(3-chlorophenyl)propionate,
Ethyl 3-(3'-chlorophenyl)propionate,
ZINC34497547,
AKOS009165354,
3- -PROPIONICACIDETHYLESTER,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.673g/mol |
| Monoisotopic Mass | 212.06g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number