| CAS Number | 1027513-43-4 |
| Catalog Number | AG01F6SD(AGN-PC-3H4966) |
| Chemical Name | Ethyl 3-fluoro-4-iodobenzoate |
| IUPAC Name | ethyl 3-fluoro-4-iodobenzoate |
| InChI | InChI=1S/C9H8FIO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3 |
| InChI Key | YKLQREFLOXXOCG-UHFFFAOYSA-N |
| MDL Number | MFCD09800727 |
| Molecular Formula | C9H8FIO2 |
| Molecular Weight | 294.0615 |
| SMILES | O=C(OCC)C1=CC=C(I)C(F)=C1 |
| Synonyms | Ethyl 3-Fluoro-4-iodobenzoate,
1027513-43-4,
ethyl-3-fluoro-4-iodobenzoate,
SCHEMBL16010879,
CTK6F6214,
YKLQREFLOXXOCG-UHFFFAOYSA-N,
ZINC31829474,
FS-5695,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 293.955g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.064g/mol |
| Monoisotopic Mass | 293.955g/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