| CAS Number | 773139-56-3 |
| Catalog Number | AG00GA4S(AGN-PC-0WCCLV) |
| Chemical Name | Ethyl 5-chloro-2-fluorobenzoate |
| IUPAC Name | ethyl 5-chloro-2-fluorobenzoate |
| InChI | InChI=1S/C9H8ClFO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2H2,1H3 |
| InChI Key | DQIQQERKWZQXCN-UHFFFAOYSA-N |
| MDL Number | MFCD06205125 |
| Molecular Formula | C9H8ClFO2 |
| Molecular Weight | 202.6100 |
| SMILES | c1(ccc(c(c1)C(=O)OCC)F)Cl |
| Synonyms | ethyl 5-chloro-2-fluorobenzoate,
773139-56-3,
SCHEMBL19971601,
9554AE,
MFCD06205125,
ZINC35189023,
AKOS009147098,
AS-9394,
FT-0755387,
Benzoic acid, 5-chloro-2-fluoro-, ethyl ester,
C9H8ClFO2,
5-chloro-2-fluoro Benzoic acid ethyl ester,
|
| 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 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number