| CAS Number | 773136-57-5 |
| Catalog Number | AG01EH9R(AGN-PC-3H45EP) |
| Chemical Name | Ethyl 3-cyano-4-fluorobenzoate |
| IUPAC Name | ethyl 3-cyano-4-fluorobenzoate |
| InChI | InChI=1S/C10H8FNO2/c1-2-14-10(13)7-3-4-9(11)8(5-7)6-12/h3-5H,2H2,1H3 |
| InChI Key | AIVREXPGXTVOOR-UHFFFAOYSA-N |
| MDL Number | MFCD06204750 |
| Molecular Formula | C10H8FNO2 |
| Molecular Weight | 193.1744 |
| SMILES | CCOC(=O)c1ccc(c(c1)C#N)F |
| Synonyms | ethyl 3-cyano-4-fluorobenzoate,
773136-57-5,
FCH850887,
ZINC44200635,
AKOS006294485,
AX8265712,
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| Complexity | 258 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.177g/mol |
| Monoisotopic Mass | 193.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number