| CAS Number | 16588-27-5 |
| Catalog Number | AG01EHFD |
| Chemical Name | 2-Bromo-4-nitro-N-phenylaniline |
| IUPAC Name | 2-bromo-4-nitro-N-phenylaniline |
| InChI | InChI=1S/C12H9BrN2O2/c13-11-8-10(15(16)17)6-7-12(11)14-9-4-2-1-3-5-9/h1-8,14H |
| InChI Key | GAGPDCMYVZJQMS-UHFFFAOYSA-N |
| MDL Number | MFCD31653791 |
| Molecular Formula | C12H9BrN2O2 |
| Molecular Weight | 293.1161 |
| SMILES | Brc1cc(ccc1Nc1ccccc1)[N+](=O)[O-] |
| Synonyms | 2-Bromo-4-nitro-N-phenylaniline,
16588-27-5,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.12g/mol |
| Monoisotopic Mass | 291.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
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Certificate of Analysis
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