| CAS Number | 103318-75-8 |
| Catalog Number | AG009KEA(AGN-PC-00NGY1) |
| Chemical Name | 2,4-Dichloro-5-fluorobenzoic acid ethyl ester |
| IUPAC Name | ethyl 2,4-dichloro-5-fluorobenzoate |
| InChI | InChI=1S/C9H7Cl2FO2/c1-2-14-9(13)5-3-8(12)7(11)4-6(5)10/h3-4H,2H2,1H3 |
| InChI Key | FHPCKNJINJXSIC-UHFFFAOYSA-N |
| MDL Number | MFCD06205036 |
| Molecular Formula | C9H7Cl2FO2 |
| Molecular Weight | 237.0551 |
| SMILES | C1(C(OCC)=O)C=C(C(Cl)=CC=1Cl)F |
| Synonyms | ethyl 2,4-dichloro-5-fluorobenzoate,
103318-75-8,
2,4-Dichloro-5-fluorobenzoic acid ethyl ester,
Benzoic acid, 2,4-dichloro-5-fluoro-, ethyl ester,
ACMC-20m66a,
SCHEMBL8335693,
CTK0G7117,
DTXSID50545451,
FHPCKNJINJXSIC-UHFFFAOYSA-N,
AKOS030615304,
ethyl 2,4-dichloro-5-fluoro-benzoate,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.981g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.051g/mol |
| Monoisotopic Mass | 235.981g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number