3-Nitro-1,6-naphthyridin-5(6H)-one - CAS 1408075-65-9
Catalog: |
BB058709 |
Product Name: |
3-Nitro-1,6-naphthyridin-5(6H)-one |
CAS: |
1408075-65-9 |
Synonyms: |
3-nitro-1,6-naphthyridin-5(6H)-one; 3-Nitro-5,6-dihydro-1,6-naphthyridin-5-one; 3-NITRO-6H-1,6-NAPHTHYRIDIN-5-ONE |
IUPAC Name: | 3-nitro-6H-1,6-naphthyridin-5-one |
Description: | 3-Nitro-1,6-naphthyridin-5(6H)-one is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 191.14 |
Molecular Formula: | C8H5N3O3 |
Canonical SMILES: | C1=CNC(=O)C2=C1N=CC(=C2)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5N3O3/c12-8-6-3-5(11(13)14)4-10-7(6)1-2-9-8/h1-4H,(H,9,12) |
InChI Key: | MLPJIQYHSLWMLH-UHFFFAOYSA-N |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.03309103 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.03309103 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 87.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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