| CAS Number | 1335290-31-7 |
| Catalog Number | AG00HSYI |
| Chemical Name | Ethyl2-(2-Cyanophenyl)-2,2-difluoroacetate |
| IUPAC Name | ethyl 2-(2-cyanophenyl)-2,2-difluoroacetate |
| InChI | InChI=1S/C11H9F2NO2/c1-2-16-10(15)11(12,13)9-6-4-3-5-8(9)7-14/h3-6H,2H2,1H3 |
| InChI Key | PFXQRKCMYVFNCF-UHFFFAOYSA-N |
| MDL Number | MFCD29065895 |
| Molecular Formula | C11H9F2NO2 |
| Molecular Weight | 225.1915 |
| SMILES | CCOC(=O)C(C1=CC=CC=C1C#N)(F)F |
| Synonyms | Ethyl 2-(2-Cyanophenyl)-2,2-difluoroacetate,
1335290-31-7,
ZINC334163857,
SY038878,
Ethyl2-(2-Cyanophenyl)-2,2-difluoroacetate,
MFCD29065895 (95%),
EN300-126811,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.195g/mol |
| Monoisotopic Mass | 225.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number