| CAS Number | 102276-85-7 |
| Catalog Number | AG01ABPW(AGN-PC-0OREC8) |
| Chemical Name | Ethyl 2-cyano-2-(2-fluorophenyl)acetate |
| IUPAC Name | ethyl 2-cyano-2-(2-fluorophenyl)acetate |
| InChI | InChI=1S/C11H10FNO2/c1-2-15-11(14)9(7-13)8-5-3-4-6-10(8)12/h3-6,9H,2H2,1H3 |
| InChI Key | CSTOKYOKTOJYOX-UHFFFAOYSA-N |
| MDL Number | MFCD03412566 |
| Molecular Formula | C11H10FNO2 |
| Molecular Weight | 207.2010 |
| SMILES | CCOC(C(C1=C(F)C=CC=C1)C#N)=O |
| Synonyms | ethyl 2-cyano-2-(2-fluorophenyl)acetate,
102276-85-7,
SCHEMBL6522396,
ethyl cyano(2-fluorophenyl)acetate,
MFCD03412566,
AKOS012174768,
NE56149,
BBV-36624300,
EN300-136047,
Cyano-2-(2-fluorophenyl)acetic acid ethyl ester,
2-Cyano-2-(2-fluorophenyl)acetic acid ethyl ester,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number