| CAS Number | 773138-93-5 |
| Catalog Number | AG00GPFO |
| Chemical Name | Ethyl 3-chloro-5-fluorobenzoate |
| IUPAC Name | ethyl 3-chloro-5-fluorobenzoate |
| InChI | InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 |
| InChI Key | DQCODEVVXJRLNF-UHFFFAOYSA-N |
| MDL Number | MFCD06205060 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.61 |
| SMILES | CCOC(C1=CC(Cl)=CC(F)=C1)=O |
| Synonyms | ETHYL 3-CHLORO-5-FLUOROBENZOATE,
773138-93-5,
DTXSID30673261,
ZINC43503477,
AKOS017560321,
SC-41944,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.609g/mol |
| Monoisotopic Mass | 202.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number