4-bromo-2-methyl-1H-indole-6-carboxylic acid - ≥97% , CAS No.1260382-87-3

CAS: 1260382-87-3 Cat. No.: B627887 Molecular Weight: 254.08 PubChem CID: 83825488

GRADE & PURITY ≥97%

Synonyms

4-Bromo-2-methyl-1H-indole-6-carboxylic acid | 1260382-87-3 | 4-bromo-2-methyl-1H-indole-6-carboxylicacid | MFCD18381252 | AS-0759 | SB14885 | A857940

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Bromo-2-methyl-1H-indole-6-carboxylic acid | 1260382-87-3 | 4-bromo-2-methyl-1H-indole-6-carboxylicacid | MFCD18381252 | AS-0759 | SB14885 | A857940

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(N1)C=C(C=C2Br)C(=O)O
• IUPAC Name: 4-bromo-2-methyl-1H-indole-6-carboxylic acid
• InChIKey: PGLGZKNSGVBDGQ-UHFFFAOYSA-N
• INCHI: 1S/C10H8BrNO2/c1-5-2-7-8(11)3-6(10(13)14)4-9(7)12-5/h2-4,12H,1H3,(H,13,14)
• PubChem CID: 83825488
• Molecular Weight: 254.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids
• Alternative Parents: Halobenzoic acids 3-halobenzoic acids Indoles Substituted pyrroles Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Indole - Aryl bromide - Aryl halide - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Carboxylic acid - Azacycle - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
• 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