7-Chloro-1-Benzothiophene-2-Carboxylic Acid

• CAS: 90407-16-2
• Catalog Number: ACM90407162
• Category: Thiophenes
• Molecular Weight: 212.64
• Molecular Formula: C9H5ClO2S
• Synonyms: 7-Chlorobenzo[B]Thiophene-2-Carboxylic Acid; Benzo[B]Thiophene-2-Carboxylicacid, 7-Chloro-
• Melting Point: 289-291 °C(lit.)
• Appearance: Solid

Custom Q&A

What is the molecular formula of 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

The molecular formula of 7-Chloro-1-Benzothiophene-2-Carboxylic Acid is C9H5ClO2S.

When was the structure of 7-Chloro-1-Benzothiophene-2-Carboxylic Acid created?

The structure was created on October 25, 2006.

What is the molecular weight of 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

The molecular weight is 212.65 g/mol.

How many synonyms are listed for 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

Multiple synonyms are listed, including 7-Chlorobenzo[b]thiophene-2-carboxylic acid and Benzo[b]thiophene-2-carboxylic acid, 7-chloro.

What is the InChIKey for 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

The InChIKey is AAXOHLXWCUMMQS-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

There is 1 hydrogen bond donor count.

What is the XLogP3-AA value for 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

The XLogP3-AA value is 3.4.

How many covalently-bonded unit counts are there in 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

There is 1 covalently-bonded unit count.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the topological polar surface area of 7-Chloro-1-Benzothiophene-2-Carboxylic Acid?

The topological polar surface area is 65.5 Å2.

Synthetic Use

Upstream Synthesis Route 1

• 68-11-1
• 6334-18-5

• 90407-16-2

Reference: [1] Patent: US2014/128606, 2014, A1, . Location in patent: Paragraph 0078; 0079; 0080; 0081; 0082; 0083

Upstream Synthesis Route 2

• 90407-15-1

• 90407-16-2

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390

Upstream Synthesis Route 3

• 90407-18-4

• 90407-16-2

Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1984, # 3, p. 385 - 390

Upstream Synthesis Route 4

• 90407-18-4

• 90407-16-2

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 385 - 390

Upstream Synthesis Route 5

• 90407-15-1

• 90407-16-2

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 385 - 390

Downstream Synthesis Route 1

• 90407-16-2

• 90407-14-0

Reference: [1]Journal of the Chemical Society. Perkin transactions I,1984,p. 385 - 390

* For details of the synthesis route, please refer to the original source to ensure accuracy.