2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride

• Catalog Number: ACM29556330
• Product Name: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride
• CAS: 29556-33-0
• Category: Basic Dyes
• Synonyms: 2-[7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl]-1,3-dimethyl-1H-benzimidazolium chloride;YELLOW 10GFF {ZN};1H-Benzimidazolium, 2-7-(diethylamino)-2-oxo-2H-1-benzopyran-3-yl-1,3-dimethyl-, chloride
• Molecular Weight: 397.89786
• Molecular Formula: C₂₂H₂₄ClN₃O₂

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C22H24ClN3O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 397.9 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 7-(diethylamino)-3-(1,3-dimethylbenzimidazol-3-ium-2-yl)chromen-2-one; chloride.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H24N3O2.ClH/c1-5-25(6-2)16-12-11-15-13-17(22(26)27-20(15)14-16)21-23(3)18-9-7-8-10-19(18)24(21)4;/h7-14H,5-6H2,1-4H3;1H/q+1;/p-1.

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C3=[N+](C4=CC=CC=C4N3C).[Cl-].

What is the CAS number of the compound?

The CAS number of the compound is 29556-33-0.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does the compound have?

The compound has 4 rotatable bond counts.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 38.4 ?2.