1H-Indole-2-carboxylic acid, 3-((1E)-2-(3-aminophenyl)-2-carboxyethenyl)-4,6-dichloro-

Base Information

• Chemical Name: 1H-Indole-2-carboxylic acid, 3-((1E)-2-(3-aminophenyl)-2-carboxyethenyl)-4,6-dichloro-
• CAS No.: 179106-29-7
• Molecular Formula: C18H12Cl2N2O4
• UNII: CE83KB84U2
• ChEMBL ID: CHEMBL180365
• Mol file: 179106-29-7.mol

Synonyms:CE83KB84U2;MDL 103371;MDL-103371;UNII-CE83KB84U2;1H-Indole-2-carboxylic acid, 3-((1E)-2-(3-aminophenyl)-2-carboxyethenyl)-4,6-dichloro-;1H-Indole-2-carboxylic acid, 3-(2-(3-aminophenyl)-2-carboxyethenyl)-4,6-dichloro-, (E)-;3-((1E)-2-(3-Aminophenyl)-2-carboxyethenyl)-4,6-dichloro-1H-indole-2-carboxylic acid;179106-29-7;CHEMBL180365;(e)-3-[2-(3-aminophenyl)-2-carboxyethenyl]-4,6-dichloro-1h-indole-2-carboxylic acid

Chemical Property of 1H-Indole-2-carboxylic acid, 3-((1E)-2-(3-aminophenyl)-2-carboxyethenyl)-4,6-dichloro-

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 390.0174123
• Heavy Atom Count: 26
• Complexity: 600

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)N)C(=CC2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)C(=O)O
• Isomeric SMILES: C1=CC(=CC(=C1)N)/C(=C\C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)/C(=O)O

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