2-Methyl-1(2H)-phthalazinone - CAS 6091-81-2
Catalog: |
BB058985 |
Product Name: |
2-Methyl-1(2H)-phthalazinone |
CAS: |
6091-81-2 |
Synonyms: |
2-Methyl-1,2-dihydrophthalazin-1-one; 2-Methylphthalazin-1-one; NSC 227289 |
IUPAC Name: | 2-methylphthalazin-1-one |
Description: | 2-Methyl-1(2H)-phthalazinone is a useful reagent for the preparation of trifluoromethylquinoxalinones. |
Molecular Weight: | 160.18 |
Molecular Formula: | C9H8N2O |
Canonical SMILES: | CN1C(=O)C2=CC=CC=C2C=N1 |
InChI: | InChI=1S/C9H8N2O/c1-11-9(12)8-5-3-2-4-7(8)6-10-11/h2-6H,1H3 |
InChI Key: | ZXMPSTMIJQZYLV-UHFFFAOYSA-N |
References: | Xue, W., et al. Asian J. Org. Chem., 8, 887 (2019). |
Complexity: | 225 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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