| CAS Number | 1266247-03-3 |
| Catalog Number | AG009X1Z(AGN-PC-0WAATM) |
| Chemical Name | 5-(Benzyloxy)-N-ethyl-2-nitroaniline |
| IUPAC Name | N-ethyl-2-nitro-5-phenylmethoxyaniline |
| InChI | InChI=1S/C15H16N2O3/c1-2-16-14-10-13(8-9-15(14)17(18)19)20-11-12-6-4-3-5-7-12/h3-10,16H,2,11H2,1H3 |
| InChI Key | YMDUNSVJPHEFNS-UHFFFAOYSA-N |
| MDL Number | MFCD25121748 |
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.2991 |
| SMILES | CCNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] |
| Synonyms | 5-(Benzyloxy)-N-ethyl-2-nitroaniline,
1266247-03-3,
SCHEMBL9893373,
YMDUNSVJPHEFNS-UHFFFAOYSA-N,
5-benzyloxy-N-ethyl-2-nitroaniline,
ZINC95494793,
Z9331,
C15H16N2O3,
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| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.304g/mol |
| Monoisotopic Mass | 272.116g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number