4-Chloro-2,6-dimethoxy-5-nitropyrimidine - CAS 60331-03-5
Catalog: |
BB070062 |
Product Name: |
4-Chloro-2,6-dimethoxy-5-nitropyrimidine |
CAS: |
60331-03-5 |
Synonyms: |
4-chloro-2,6-dimethoxy-5-nitropyrimidine; 4-chloro-2,6-dimethoxy-5-nitro-pyrimidine |
IUPAC Name: | 4-chloro-2,6-dimethoxy-5-nitropyrimidine |
Description: | 4-Chloro-2,6-dimethoxy-5-nitropyrimidine is an intermediate in the synthesis of Lumazine (L473800) fluorophore. |
Molecular Weight: | 219.58 |
Molecular Formula: | C6H6ClN3O4 |
Canonical SMILES: | COC1=C(C(=NC(=N1)OC)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6ClN3O4/c1-13-5-3(10(11)12)4(7)8-6(9-5)14-2/h1-2H3 |
InChI Key: | DZVJFWKOQFZUII-UHFFFAOYSA-N |
Melting Point: | 67 - 69°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Pale Yellow Solid |
Storage: | 4°C |
References: | Chen, J.H., et al. J. Org. Chem., 69, 6996 (2004); Cushman, M., et al. J. Org. Chem., 69, 601 (2004). |
Complexity: | 212 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0046834 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0046834 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 90.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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