| CAS Number | 78750-60-4 |
| Catalog Number | AG01BDQ9 |
| Chemical Name | N-(4-bromophenyl)-3-nitropyridin-2-amine |
| IUPAC Name | N-(4-bromophenyl)-3-nitropyridin-2-amine |
| InChI | InChI=1S/C11H8BrN3O2/c12-8-3-5-9(6-4-8)14-11-10(15(16)17)2-1-7-13-11/h1-7H,(H,13,14) |
| InChI Key | OVWIQCXJXQFDTK-UHFFFAOYSA-N |
| MDL Number | MFCD28064180 |
| Molecular Formula | C11H8BrN3O2 |
| Molecular Weight | 294.1041 |
| SMILES | [O-][N+](C1=C(NC2=CC=C(Br)C=C2)N=CC=C1)=O |
| Synonyms | N-(4-bromophenyl)-3-nitropyridin-2-amine,
78750-60-4,
SCHEMBL10812183,
ZINC59284892,
|
| Complexity | 264 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.98g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.108g/mol |
| Monoisotopic Mass | 292.98g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
Lot Number