| CAS Number | 1307996-20-8 |
| Catalog Number | AG00J2MP(AGN-PC-0WB62X) |
| Chemical Name | 5-Bromo-3-nitro-N-(1-phenylethyl)pyridin-2-amine |
| IUPAC Name | 5-bromo-3-nitro-N-(1-phenylethyl)pyridin-2-amine |
| InChI | InChI=1S/C13H12BrN3O2/c1-9(10-5-3-2-4-6-10)16-13-12(17(18)19)7-11(14)8-15-13/h2-9H,1H3,(H,15,16) |
| InChI Key | AQJCSYPKGYPFOF-UHFFFAOYSA-N |
| MDL Number | MFCD16381254 |
| Molecular Formula | C13H12BrN3O2 |
| Molecular Weight | 322.1573 |
| SMILES | C1(=CC(Br)=CN=C1NC(C)C1C=CC=CC=1)[N+](=O)[O-] |
| Synonyms | 5-bromo-3-nitro-N-(1-phenylethyl)-2-pyridinamine,
1307996-20-8,
ZX-CM010142,
MFCD16381254,
AKOS010477552,
IMED784973933,
Y-7653,
5-bromo-3-nitro-N-(1-phenylethyl)pyridin-2-amine,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 322.162g/mol |
| Monoisotopic Mass | 321.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number