1-benzoylindole-3-carboxylic acid - ≥97% , CAS No.83451-62-1

CAS: 83451-62-1 Cat. No.: B681693 Molecular Weight: 265.26 PubChem CID: 12781320

GRADE & PURITY ≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Product Properties

• ALogP: 3.1

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)O
• InChIKey: JNRCZRNPCUJENI-UHFFFAOYSA-N
• INCHI: 1S/C16H11NO3/c18-15(11-6-2-1-3-7-11)17-10-13(16(19)20)12-8-4-5-9-14(12)17/h1-10H,(H,19,20)
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)N2C=C(C3=CC=CC=C32)C(=O)O
• PubChem CID: 12781320
• Molecular Weight: 265.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Benzoylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Benzoylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylindoles
• Alternative Parents: Indolecarboxylic acids and derivatives Indoles Benzoic acids and derivatives Pyrrole carboxylic acids Benzoyl derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoylindole - Indolecarboxylic acid derivative - Benzoic acid or derivatives - Indole - Benzoyl - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y