| CAS Number | 1239592-10-9 |
| Catalog Number | AG01FDU8(AGN-PC-3H4A03) |
| Chemical Name | Ethyl 5-chloro-2,4-difluorobenzoate |
| IUPAC Name | ethyl 5-chloro-2,4-difluorobenzoate |
| InChI | InChI=1S/C9H7ClF2O2/c1-2-14-9(13)5-3-6(10)8(12)4-7(5)11/h3-4H,2H2,1H3 |
| InChI Key | KLOWKADDOFKRKP-UHFFFAOYSA-N |
| MDL Number | MFCD18416425 |
| Molecular Formula | C9H7ClF2O2 |
| Molecular Weight | 220.6005 |
| SMILES | c1(c(cc(c(c1)C(=O)OCC)F)F)Cl |
| Synonyms | ethyl 5-chloro-2,4-difluorobenzoate,
1239592-10-9,
SCHEMBL365356,
ZINC89064476,
AKOS017552399,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.6g/mol |
| Monoisotopic Mass | 220.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number