5-Bromo-1H-indole-3-carboxylic acid methyl ester

CAS
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CAS
773873-77-1
Size
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Purity
97%
Price
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Availability
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Catalog Number

ACM773873771

Product Name

5-Bromo-1H-indole-3-carboxylic acid methyl ester

Structure

Structure

CAS

773873-77-1

Category

Bromine Series

Description

5-Bromo-1H-indole-3-carboxylic acid methyl ester is a marine derived natural products found in Smenospongia sp.

Synonyms

1H-Indole-3-carboxylicacid,5-bromo-,methylester

IUPAC Name

Methyl 5-bromo-1H-indole-3-carboxylate

Molecular Weight

254.0827

Molecular Formula

C10H8BrNO2

Canonical SMILES

COC(=O)C1=CNC2=C1C=C(C=C2)Br

InChI

InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3

InChI Key

MFOKOKHNSVUKON-UHFFFAOYSA-N

Boiling Point

386.2ºC at 760 mmHg

Flash Point

187.3ºC

Density

1.629g/cm³

Complexity

234

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

0

Exact Mass

252.97384

H-Bond Acceptor

2

H-Bond Donor

1

Heavy Atom Count

14

MDL Number

MFCD06203728

Monoisotopic Mass

252.97384

Physical State

Powder

Size

1g,5g,25g

Storage Conditions

Powder: -20°C for 3 years In solvent: -80°C for 2 years

Topological Polar Surface Area

42.1 Å²

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The molecular formula is C10H8BrNO2.

What are the synonyms of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The synonyms include Methyl 5-bromo-1H-indole-3-carboxylate, 773873-77-1, and Methyl 5-Bromoindole-3-carboxylate.

What is the molecular weight of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The molecular weight is 254.08 g/mol.

When was 5-Bromo-1H-indole-3-carboxylic acid methyl ester created?

It was created on March 26, 2005.

When was 5-Bromo-1H-indole-3-carboxylic acid methyl ester last modified?

It was last modified on December 2, 2023.

What is the IUPAC name of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The IUPAC name is methyl 5-bromo-1H-indole-3-carboxylate.

What is the InChI of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The InChI is InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3.

What is the InChIKey of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The InChIKey is MFOKOKHNSVUKON-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The Canonical SMILES is COC(=O)C1=CNC2=C1C=C(C=C2)Br.

What is the CAS number of 5-Bromo-1H-indole-3-carboxylic acid methyl ester?

The CAS number is 773873-77-1.

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