Ethyl 3-Bromoindole-2-carboxylate - ≥95% , CAS No.91348-45-7

CAS: 91348-45-7 Cat. No.: E122886 Formula: C₁₁H₁₀BrNO₂ Peso molecolare: 268.11 Numero EC: 805-826-2

QUALITÀ & PUREZZA ≥95%

Synonyms

BCP11446 | FT-0642199 | STK893364 | 3-Bromo-2-indolecarboxylic acid ethyl ester | 1H-Indole-2-carboxylic acid, 3-bromo-, ethyl ester | 3-bromo-1H-indole carboxylic acid ethyl ester | 3-Bromo-1H-indole-2-carboxylic acid ethyl ester | AC-1736 | 3-bromo-1H-i

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

BCP11446 | FT-0642199 | STK893364 | 3-Bromo-2-indolecarboxylic acid ethyl ester | 1H-Indole-2-carboxylic acid, 3-bromo-, ethyl ester | 3-bromo-1H-indole carboxylic acid ethyl ester | 3-Bromo-1H-indole-2-carboxylic acid ethyl ester | AC-1736 | 3-bromo-1H-i

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

488194976

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194976

Sorrisi canonici

CCOC(=O)C1=C(C2=CC=CC=C2N1)Br

IUPAC Name

ethyl 3-bromo-1H-indole-2-carboxylate

InChIKey

DRJWEOYWZOGNQU-UHFFFAOYSA-N

INCHI

1S/C11H10BrNO2/c1-2-15-11(14)10-9(12)7-5-3-4-6-8(7)13-10/h3-6,13H,2H2,1H3

Isomeri SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N1)Br

Peso molecolare

268.11

Reaxy-Rn

186192

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=186192&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxylic acids and derivatives
• Alternative Parents: Indoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Aryl bromides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxylic acid derivative - Indole - Pyrrole-2-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Vinylogous halide - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 151 °C
• Peso molecolare: 268.110 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 266.989 Da
• Monoisotopic Mass: 266.989 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 247.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 91348-45-7, the molecular formula is C11H10BrNO2, and the molecular weight is 268.11 g/mol. InChIKey DRJWEOYWZOGNQU-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.