93964-22-8 Purity
96%
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The molecular formula is C25H19N2NaO3.
Some synonyms include 93964-25-1, 11H-Benzo(a)carbazole-3-carboxamide, and 2-hydroxy-N-(4-methoxy-2-methylphenyl)-, monosodium salt.
The molecular weight is 418.4 g/mol.
The IUPAC name is sodium;3-[(4-methoxy-2-methylphenyl)carbamoyl]-11H-benzo[a]carbazol-2-olate.
The InChIKey is KIZZXOBTCFRJSD-UHFFFAOYSA-M.
The Canonical SMILES is CC1=C(C=CC(=C1)OC)NC(=O)C2=C(C=C3C(=C2)C=CC4=C3NC5=CC=CC=C45)[O-].[Na+].
It has 2 hydrogen bond donors.
The exact mass is 418.12933675 g/mol.
It has 3 rotatable bond counts.
The topological polar surface area is 77.2 Ų.