| CAS Number | 1042973-63-6 |
| Catalog Number | AG01EH9U(AGN-PC-3H45F5) |
| Chemical Name | methyl 2-(2,4-dinitrophenyl)-2-methylpropanoate |
| IUPAC Name | methyl 2-(2,4-dinitrophenyl)-2-methylpropanoate |
| InChI | InChI=1S/C11H12N2O6/c1-11(2,10(14)19-3)8-5-4-7(12(15)16)6-9(8)13(17)18/h4-6H,1-3H3 |
| InChI Key | SABQHLZAPIZMJR-UHFFFAOYSA-N |
| MDL Number | MFCD23378860 |
| Molecular Formula | C11H12N2O6 |
| Molecular Weight | 268.2228 |
| SMILES | COC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])(C)C |
| Synonyms | Methyl 2-(2,4-dinitrophenyl)-2-methylpropanoate,
1042973-63-6,
SCHEMBL3592382,
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| Complexity | 384 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.225g/mol |
| Monoisotopic Mass | 268.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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