| CAS Number | 225102-05-6 |
| Catalog Number | AG01A6JA |
| Chemical Name | ethyl 2-(4-nitrophenoxy)butanoate |
| IUPAC Name | ethyl 2-(4-nitrophenoxy)butanoate |
| InChI | InChI=1S/C12H15NO5/c1-3-11(12(14)17-4-2)18-10-7-5-9(6-8-10)13(15)16/h5-8,11H,3-4H2,1-2H3 |
| InChI Key | NZSZBYKHXVLPBS-UHFFFAOYSA-N |
| MDL Number | MFCD20143143 |
| Molecular Formula | C12H15NO5 |
| Molecular Weight | 253.2512 |
| SMILES | CCOC(C(OC1=CC=C([N+]([O-])=O)C=C1)CC)=O |
| Synonyms | ethyl 2-(4-nitrophenoxy)butanoate,
225102-05-6,
AKOS008981791,
NE54589,
|
| Complexity | 281 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.254g/mol |
| Monoisotopic Mass | 253.095g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 81.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number