| CAS Number | 59656-62-1 |
| Catalog Number | AG01AM3O(AGN-PC-0N31RP) |
| Chemical Name | 2-Nitro-4-(pyridin-4-yl)aniline |
| IUPAC Name | 2-nitro-4-pyridin-4-ylaniline |
| InChI | InChI=1S/C11H9N3O2/c12-10-2-1-9(7-11(10)14(15)16)8-3-5-13-6-4-8/h1-7H,12H2 |
| InChI Key | JJIIMBRBDKEWEV-UHFFFAOYSA-N |
| MDL Number | MFCD27926068 |
| Molecular Formula | C11H9N3O2 |
| Molecular Weight | 215.2081 |
| SMILES | NC1=C([N+]([O-])=O)C=C(C2=CC=NC=C2)C=C1 |
| Synonyms | 2-nitro-4-(pyridin-4-yl)aniline,
59656-62-1,
CID10353230,
SCHEMBL4188218,
2-Nitro-4-(4-pyridinyl)aniline,
JJIIMBRBDKEWEV-UHFFFAOYSA-N,
2-nitro-4-pyridin-4-ylphenylamine,
ZINC38586863,
Benzenamine, 2-nitro-4-(4-pyridinyl)-,
2-nitro-4-pyridin-4-yl-aniline,
4-(4-amino-3-nitrophenyl)-pyridine,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.212g/mol |
| Monoisotopic Mass | 215.069g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 84.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number