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1-(2-Chloro-4-fluorobenzyl)-3-formyl-6-methoxy-1H-indole-2-carboxylic acid

CAS 1243023-71-3Formula C18H13ClFNO4MW 361.7PubChem 50742425

This complex organic compound features a chloro-fluoro-benzyl group attached to an indole ring system, which also includes formyl, methoxy, and carboxylic acid functionalities. Classified within the research-oriented and research-oriented structural bucket, it holds potential relevance in medicinal chemistry research.

Loading RDKit molecule structure...
InChIKey: WUXUGIHOMALGJQ-UHFFFAOYSA-NC18H13ClFNO4 | MW 361.7

Chemical Identity

Molecular Formula

C18H13ClFNO4

Molecular Weight

361.7 g/mol

Exact Mass

361.051714

PubChem CID

50742425

IUPAC Name

1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-6-methoxyindole-2-carboxylic acid

SMILES String

COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccc(F)cc3Cl)c2c1

Names & Synonyms

1H-indole-2-carboxylic acid, 1-[(2-chloro-4-fluorophenyl)methyl]-3-formyl-6-methoxy-
External Identifiers
ALBB-020103AKOS004910940

Catalog Overview

1-(2-Chloro-4-fluorobenzyl)-3-formyl-6-methoxy-1H-indole-2-carboxylic acid, identified by CAS 1243023-71-3, is a synthetic organic compound with the molecular formula C18H13ClFNO4 and a molecular weight of 361.70. Its structure incorporates a 1H-indole core substituted with a 2-chloro-4-fluorobenzyl group at the N1 position, a formyl group at C3, a methoxy group at C6, and a carboxylic acid group at C2. This intricate architecture places it within the research-oriented and research-oriented chemical space, making it a valuable building block or lead compound for various research applications, particularly in drug discovery and...

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow
Read more catalog context

1-(2-Chloro-4-fluorobenzyl)-3-formyl-6-methoxy-1H-indole-2-carboxylic acid, identified by CAS 1243023-71-3, is a synthetic organic compound with the molecular formula C18H13ClFNO4 and a molecular weight of 361.70. Its structure incorporates a 1H-indole core substituted with a 2-chloro-4-fluorobenzyl group at the N1 position, a formyl group at C3, a methoxy group at C6, and a carboxylic acid group at C2. This intricate architecture places it within the research-oriented and research-oriented chemical space, making it a valuable building block or lead compound for various research applications, particularly in drug discovery and medicinal chemistry.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white to off-white crystalline powder

Physical State

solid

Melting Point

200.0 °C

Density

1.3 g/cm³

Water Solubility

slightly soluble

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse immediately with plenty of water. Consult the Safety Data Sheet (SDS) for detailed hazard information and safe handling procedures. Store in a cool, dry place, away from incompatible materials.

Related Products / Graph Discovery

Related products, derivatives, keywords, and application cues for catalog discovery.

Similar products (text references)

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Recommended application cues

Research intermediateCustom synthesis building block

Catalog discovery cues, not supplier-verified claims.

Related HS Code / Compliance

HS Code: 293399GHS Pictograms: GHS07Shipment review: Shipment details require review before fulfillment.

Compliance cues are non-linked reference tags and require shipment review.

Catalog navigation

Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.