| CAS Number | 1951439-76-1 |
| Catalog Number | AG00I36S(AGN-PC-0WQZ5X) |
| Chemical Name | 4-(Benzyloxy)-N-methyl-2-nitroaniline |
| IUPAC Name | N-methyl-2-nitro-4-phenylmethoxyaniline |
| InChI | InChI=1S/C14H14N2O3/c1-15-13-8-7-12(9-14(13)16(17)18)19-10-11-5-3-2-4-6-11/h2-9,15H,10H2,1H3 |
| InChI Key | JDMAROMEJZCELO-UHFFFAOYSA-N |
| MDL Number | MFCD29764362 |
| Molecular Formula | C14H14N2O3 |
| Molecular Weight | 258.2726 |
| SMILES | CNc1ccc(cc1[N+](=O)[O-])OCc1ccccc1 |
| Synonyms | 4-(Benzyloxy)-N-methyl-2-nitroaniline,
1951439-76-1,
ZINC390824128,
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| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.277g/mol |
| Monoisotopic Mass | 258.1g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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