| CAS Number | 142835-44-7 |
| Catalog Number | AG01FS3G(AGN-PC-0O2IMF) |
| Chemical Name | 2-(4-Nitrobenzyl)aniline |
| IUPAC Name | 2-[(4-nitrophenyl)methyl]aniline |
| InChI | InChI=1S/C13H12N2O2/c14-13-4-2-1-3-11(13)9-10-5-7-12(8-6-10)15(16)17/h1-8H,9,14H2 |
| InChI Key | KNLDJACFNUNPBU-UHFFFAOYSA-N |
| MDL Number | MFCD31619095 |
| Molecular Formula | C13H12N2O2 |
| Molecular Weight | 228.2466 |
| SMILES | Nc1ccccc1Cc1ccc(cc1)[N+](=O)[O-] |
| Synonyms | 2-(4-Nitrobenzyl)aniline,
142835-44-7,
2-[(4-nitrophenyl)methyl]aniline,
AK689279,
DS-20224,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.089878g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.25g/mol |
| Monoisotopic Mass | 228.089878g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 71.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number