| CAS Number | 57381-63-2 |
| Catalog Number | AG00EIMC(AGN-PC-03CDPK) |
| Chemical Name | Ethyl 2-chloro-5-fluorobenzoate |
| IUPAC Name | ethyl 2-chloro-5-fluorobenzoate |
| InChI | InChI=1S/C9H8ClFO2/c1-2-13-9(12)7-5-6(11)3-4-8(7)10/h3-5H,2H2,1H3 |
| InChI Key | GWENTXANAYAWIK-UHFFFAOYSA-N |
| MDL Number | MFCD06205162 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | c1c(cc(c(c1)Cl)C(=O)OCC)F |
| Synonyms | Ethyl 2-chloro-5-fluorobenzoate,
57381-63-2,
SCHEMBL11801981,
MFCD06205162,
ZINC44201043,
FT-0732458,
|
| 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 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number