| CAS Number | 1461713-62-1 |
| Catalog Number | AG01A6O5 |
| Chemical Name | Methyl 2-(2-fluoro-4-nitrophenyl)-2-methylpropanoate |
| IUPAC Name | methyl 2-(2-fluoro-4-nitrophenyl)-2-methylpropanoate |
| InChI | InChI=1S/C11H12FNO4/c1-11(2,10(14)17-3)8-5-4-7(13(15)16)6-9(8)12/h4-6H,1-3H3 |
| InChI Key | RLQBHCMAEJCYHY-UHFFFAOYSA-N |
| MDL Number | MFCD25970371 |
| Molecular Formula | C11H12FNO4 |
| Molecular Weight | 241.2157 |
| SMILES | COC(C(C1=C(F)C=C([N+]([O-])=O)C=C1)(C)C)=O |
| Synonyms | methyl 2-(2-fluoro-4-nitrophenyl)-2-methylpropanoate,
1461713-62-1,
SCHEMBL17726697,
ZINC95348257,
NE54202,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.075g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.218g/mol |
| Monoisotopic Mass | 241.075g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number