6- Amino- 5- nitrochromen- 2- one - CAS 109143-64-8
Catalog: |
BB054965 |
Product Name: |
6- Amino- 5- nitrochromen- 2- one |
CAS: |
109143-64-8 |
Synonyms: |
6-amino-5-nitrochromen-2-one; 2H-1-Benzopyran-2-one, 6-amino-5-nitro-; 6-Amino-5-nitro-2H-1-benzopyran-2-one |
IUPAC Name: | 6-amino-5-nitrochromen-2-one |
Molecular Weight: | 206.15 |
Molecular Formula: | C9H6N2O4 |
Canonical SMILES: | C1=CC(=O)OC2=C1C(=C(C=C2)N)[N+](=O)[O-] |
InChI: | InChI=1S/C9H6N2O4/c10-6-2-3-7-5(9(6)11(13)14)1-4-8(12)15-7/h1-4H,10H2 |
InChI Key: | UJQBMMXSOMEAJG-UHFFFAOYSA-N |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.03275668 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.03275668 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 98.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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