| CAS Number | 2140326-64-1 |
| Catalog Number | AG01EHAI(AGN-PC-3H45FO) |
| Chemical Name | Methyl 2-cyano-2-(2-fluoro-4-nitrophenyl)acetate |
| IUPAC Name | methyl 2-cyano-2-(2-fluoro-4-nitrophenyl)acetate |
| InChI | InChI=1S/C10H7FN2O4/c1-17-10(14)8(5-12)7-3-2-6(13(15)16)4-9(7)11/h2-4,8H,1H3 |
| InChI Key | AZSJUMIYXYSMEK-UHFFFAOYSA-N |
| MDL Number | MFCD31728335 |
| Molecular Formula | C10H7FN2O4 |
| Molecular Weight | 238.1720 |
| SMILES | N#CC(c1ccc(cc1F)[N+](=O)[O-])C(=O)OC |
| Synonyms | Methyl 2-cyano-2-(2-fluoro-4-nitrophenyl)acetate,
2140326-64-1,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.174g/mol |
| Monoisotopic Mass | 238.039g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 95.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number