2-(6-bromo-2-methyl-3H-inden-1-yl)acetic acid - ≥97% , CAS No.857251-05-9

CAS: 857251-05-9 Cat. No.: A634707 Molecular Weight: 267.12 PubChem CID: 20356218

GRADE & PURITY ≥97%

Synonyms

2-(6-bromo-2-methyl-3H-inden-1-yl)acetic acid | 857251-05-9 | SCHEMBL11663761 | F89454

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

2-(6-bromo-2-methyl-3H-inden-1-yl)acetic acid | 857251-05-9 | SCHEMBL11663761 | F89454

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C(C2=C(C1)C=CC(=C2)Br)CC(=O)O
• IUPAC Name: 2-(6-bromo-2-methyl-3H-inden-1-yl)acetic acid
• InChIKey: CVSYIQGEHJRGNA-UHFFFAOYSA-N
• INCHI: 1S/C12H11BrO2/c1-7-4-8-2-3-9(13)5-11(8)10(7)6-12(14)15/h2-3,5H,4,6H2,1H3,(H,14,15)
• Isomeric SMILES: CC1=C(C2=C(C1)C=CC(=C2)Br)CC(=O)O
• PubChem CID: 20356218
• Molecular Weight: 267.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Indenes and isoindenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Indenes and isoindenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indenes and isoindenes
• Alternative Parents: Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indene - Aryl halide - Aryl bromide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Carbonyl group - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
• 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