| CAS Number | 683220-23-7 |
| Catalog Number | AG01A09P |
| Chemical Name | Ethyl 2-cyano-2-(3-fluorophenyl)acetate |
| IUPAC Name | ethyl 2-cyano-2-(3-fluorophenyl)acetate |
| InChI | InChI=1S/C11H10FNO2/c1-2-15-11(14)10(7-13)8-4-3-5-9(12)6-8/h3-6,10H,2H2,1H3 |
| InChI Key | NZDDOGDUKXFCRY-UHFFFAOYSA-N |
| MDL Number | MFCD03412585 |
| Molecular Formula | C11H10FNO2 |
| Molecular Weight | 207.2010 |
| SMILES | CCOC(C(C1=CC(F)=CC=C1)C#N)=O |
| Synonyms | ethyl 2-cyano-2-(3-fluorophenyl)acetate,
683220-23-7,
SCHEMBL17999562,
MFCD03412585,
AKOS012174226,
MCULE-4144276026,
NE38841,
BBV-36624296,
EN300-109261,
Cyano-(3-fluoro-phenyl)-acetic acid ethyl ester,
Z1428018543,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.204g/mol |
| Monoisotopic Mass | 207.07g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number