627-39-4 Purity
96%+
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Specification
The molecular formula is C23H22ClNO4.
The molecular weight is 411.9 g/mol.
The synonyms are 9-Mesityl-10-methyl-10-acridinium perchlorate, 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium; perchlorate, and MFCD09038536.
The IUPAC name is 10-methyl-9-(2,4,6-trimethylphenyl)acridin-10-ium; perchlorate.
The InChI is InChI=1S/C23H22N.ClHO4/c1-15-13-16(2)22(17(3)14-15)23-18-9-5-7-11-20(18)24(4)21-12-8-6-10-19(21)23;2-1(3,4)5/h5-14H,1-4H3;(H,2,3,4,5)/q+1;/p-1.
The InChIKey is LFMBERYWDLWXNO-UHFFFAOYSA-M.
The canonical SMILES is CC1=CC(=C(C(=C1)C)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)C)C.[O-]Cl(=O)(=O)=O.
The CAS number is 674783-97-2.
There are 4 hydrogen bond acceptors in 9-Mesityl-10-methylacridinium perchlorate.
There is 1 rotatable bond in 9-Mesityl-10-methylacridinium perchlorate.