| CAS Number | 1820650-73-4 |
| Catalog Number | AG00I0P7(AGN-PC-0WOCDI) |
| Chemical Name | 2-(4-Methoxybenzylamino)-5-nitrobenzaldehyde |
| IUPAC Name | 2-[(4-methoxyphenyl)methylamino]-5-nitrobenzaldehyde |
| InChI | InChI=1S/C15H14N2O4/c1-21-14-5-2-11(3-6-14)9-16-15-7-4-13(17(19)20)8-12(15)10-18/h2-8,10,16H,9H2,1H3 |
| InChI Key | UTSBAXDURLVUJL-UHFFFAOYSA-N |
| MDL Number | MFCD28014035 |
| Molecular Formula | C15H14N2O4 |
| Molecular Weight | 286.2827 |
| SMILES | COc1ccc(cc1)CNc1ccc(cc1C=O)[N+](=O)[O-] |
| Synonyms | 1820650-73-4,
2-(4-Methoxybenzylamino)-5-nitrobenzaldehyde,
2-((4-Methoxybenzyl)amino)-5-nitrobenzaldehyde,
AKOS027373229,
ZINC169725158,
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| Complexity | 350 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.287g/mol |
| Monoisotopic Mass | 286.095g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
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