| CAS Number | 1935346-20-5 |
| Catalog Number | AG00I2Z8(AGN-PC-0WR258) |
| Chemical Name | 6-Amino-3-bromo-5-nitro-pyridin-2-ol |
| IUPAC Name | 6-amino-3-bromo-5-nitro-1H-pyridin-2-one |
| InChI | InChI=1S/C5H4BrN3O3/c6-2-1-3(9(11)12)4(7)8-5(2)10/h1H,(H3,7,8,10) |
| InChI Key | PCFLYUZOCFZUHZ-UHFFFAOYSA-N |
| MDL Number | MFCD28400739 |
| Molecular Formula | C5H4BrN3O3 |
| Molecular Weight | 234.0076 |
| SMILES | [O-][N+](=O)c1cc(Br)c(=O)[nH]c1N |
| Synonyms | 6-Amino-3-bromo-5-nitro-pyridin-2-ol,
1935346-20-5,
6-Amino-3-bromo-5-nitro-1H-pyridin-2-one,
6-Amino-3-bromo-5-nitropyridin-2(1H)-one,
CS-0083220,
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.009g/mol |
| Monoisotopic Mass | 232.944g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number