| CAS Number | 1306102-61-3 |
| Catalog Number | AG00J2NE(AGN-PC-0WB62B) |
| Chemical Name | 5-Bromo-3-nitro-N-(pentan-3-yl)pyridin-2-amine |
| IUPAC Name | 5-bromo-3-nitro-N-pentan-3-ylpyridin-2-amine |
| InChI | InChI=1S/C10H14BrN3O2/c1-3-8(4-2)13-10-9(14(15)16)5-7(11)6-12-10/h5-6,8H,3-4H2,1-2H3,(H,12,13) |
| InChI Key | VSZIKODJKOUHDZ-UHFFFAOYSA-N |
| MDL Number | MFCD14650436 |
| Molecular Formula | C10H14BrN3O2 |
| Molecular Weight | 288.1411 |
| SMILES | C1(=CC(Br)=CN=C1NC(CC)CC)[N+](=O)[O-] |
| Synonyms | 1306102-61-3,
5-bromo-N-(1-ethylpropyl)-3-nitro-2-pyridinamine,
5-Bromo-3-nitro-N-(pentan-3-yl)pyridin-2-amine,
ZX-CM010210,
MFCD14650436,
ZINC42371362,
AKOS010477138,
BC4271317,
Y-7483,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 287.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 288.145g/mol |
| Monoisotopic Mass | 287.027g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
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Certificate of Analysis
Lot Number