| CAS Number | 954216-03-6 |
| Catalog Number | AG003MKB(AGN-PC-04TLWU) |
| Chemical Name | 5-Bromo-2-(furan-2-ylmethylamino)-3-nitropyridine |
| IUPAC Name | 5-bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine |
| InChI | InChI=1S/C10H8BrN3O3/c11-7-4-9(14(15)16)10(12-5-7)13-6-8-2-1-3-17-8/h1-5H,6H2,(H,12,13) |
| InChI Key | PGBJOWJPJLEDIJ-UHFFFAOYSA-N |
| MDL Number | MFCD09862918 |
| Molecular Formula | C10H8BrN3O3 |
| Molecular Weight | 298.0928 |
| SMILES | BrC1=CN=C(C(=C1)[N+](=O)[O-])NCC1=CC=CO1 |
| Synonyms | 954216-03-6,
5-Bromo-N-(furan-2-ylmethyl)-3-nitropyridin-2-amine,
5-Bromo-2-(furan-2-ylmethylamino)-3-nitropyridine,
ACMC-209ryn,
CTK5H7717,
DTXSID40647938,
ANW-40509,
MFCD09862918,
ZINC39956787,
AKOS010476727,
IMED784973905,
RTR-029785,
AJ-101447,
AX8229887,
BC4271315,
ST2406157,
TR-029785,
B-5516,
I02-3174,
5-Bromo-N-[(furan-2-yl)methyl]-3-nitropyridin-2-amine,
(5-Bromo-3-nitro-pyridin-2-yl)-furan-2-ylmethyl-amine,
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| Complexity | 274 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.096g/mol |
| Monoisotopic Mass | 296.975g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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