| CAS Number | 1956341-62-0 |
| Catalog Number | AG01EFNS |
| Chemical Name | 5-Bromo-2-chloro-N-methyl-3-nitropyridin-4-amine |
| IUPAC Name | 5-bromo-2-chloro-N-methyl-3-nitropyridin-4-amine |
| InChI | InChI=1S/C6H5BrClN3O2/c1-9-4-3(7)2-10-6(8)5(4)11(12)13/h2H,1H3,(H,9,10) |
| InChI Key | QNAXSBLDUKABIG-UHFFFAOYSA-N |
| MDL Number | MFCD29058854 |
| Molecular Formula | C6H5BrClN3O2 |
| Molecular Weight | 266.4798 |
| SMILES | CNc1c(Br)cnc(Cl)c1[N+]([O-])=O |
| Synonyms | 5-Bromo-2-chloro-N-methyl-3-nitropyridin-4-amine,
1956341-62-0,
MFCD29058854,
ZINC261508218,
CS-0039491,
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| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.479g/mol |
| Monoisotopic Mass | 264.925g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 70.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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