12271-12-4 Purity
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The molecular formula of BASIC ORANGE 21 is C22H23ClN2.
The molecular weight of BASIC ORANGE 21 is 350.9 g/mol.
The IUPAC name of BASIC ORANGE 21 is 1,3,3-trimethyl-2-[(E)-2-(2-methyl-1H-indol-3-yl)ethenyl]indol-1-ium;chloride.
The InChIKey of BASIC ORANGE 21 is ZOMLUNRKXJYKPD-UHFFFAOYSA-N.
The canonical SMILES of BASIC ORANGE 21 is CC1=C(C2=CC=CC=C2N1)C=CC3=[N+](C4=CC=CC=C4C3(C)C).[Cl-].
The CAS number of BASIC ORANGE 21 is 3056-93-7.
The hydrogen bond donor count of BASIC ORANGE 21 is 1.
The hydrogen bond acceptor count of BASIC ORANGE 21 is 1.
The rotatable bond count of BASIC ORANGE 21 is 2.
The topological polar surface area of BASIC ORANGE 21 is 18.8?2.
The InChI of Basic Orange 21 is InChI=1S/C22H22N2.ClH/c1-15-16(17-9-5-7-11-19(17)23-15)13-14-21-22(2,3)18-10-6-8-12-20(18)24(21)4;/h5-14H,1-4H3;1H.
Basic Orange 21 has 1 hydrogen bond donor count.
Basic Orange 21 has 1 hydrogen bond acceptor count.
Basic Orange 21 has 2 rotatable bond counts.