5-Chlorothiophene-2-carboxylic acid

• CAS: 24065-33-6
• Catalog Number: ACM24065336
• Category: Thiophenes
• Molecular Weight: 162.59g/mol
• Molecular Formula: C5H3ClO2S
• Synonyms: 2-Thiophenecarboxylic acid, 5-chloro-;5-chlorothiophenecarboxylic acid
• IUPAC Name: 5-chlorothiophene-2-carboxylic acid
• Canonical SMILES: C1=C(SC(=C1)Cl)C(=O)O
• InChI: InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
• InChI Key: QZLSBOVWPHXCLT-UHFFFAOYSA-N
• Melting Point: 154-158°C
• Appearance: Gray Solid
• Complexity: 128
• Covalently-Bonded Unit Count: 1
• EC Number: 480-060-6;607-311-6
• Exact Mass: 161.954228g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heavy Atom Count: 9
• Monoisotopic Mass: 161.954228g/mol
• NSC Number: 14776
• Rotatable Bond Count: 1
• XLogP3: 2.4

Custom Q&A

What is the molecular formula of 5-Chlorothiophene-2-carboxylic acid?

The molecular formula of 5-Chlorothiophene-2-carboxylic acid is C5H3ClO2S.

What is the molecular weight of 5-Chlorothiophene-2-carboxylic acid?

The molecular weight of 5-Chlorothiophene-2-carboxylic acid is 162.59 g/mol.

What are some synonyms for 5-Chlorothiophene-2-carboxylic acid?

Some synonyms for 5-Chlorothiophene-2-carboxylic acid include 5-Chloro-2-thiophenecarboxylic acid and 2-Thiophenecarboxylic acid, 5-chloro.

When was 5-Chlorothiophene-2-carboxylic acid created and last modified in PubChem?

5-Chlorothiophene-2-carboxylic acid was created on 2005-03-26 and last modified on 2023-12-30 in PubChem.

What is the InChIKey for 5-Chlorothiophene-2-carboxylic acid?

The InChIKey for 5-Chlorothiophene-2-carboxylic acid is QZLSBOVWPHXCLT-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 5-Chlorothiophene-2-carboxylic acid have?

5-Chlorothiophene-2-carboxylic acid has 1 hydrogen bond donor count.

What is the topological polar surface area of 5-Chlorothiophene-2-carboxylic acid?

The topological polar surface area of 5-Chlorothiophene-2-carboxylic acid is 65.5 Ų.

What is the xLogP3-AA value for 5-Chlorothiophene-2-carboxylic acid?

The xLogP3-AA value for 5-Chlorothiophene-2-carboxylic acid is 2.4.

How many rotatable bond counts does 5-Chlorothiophene-2-carboxylic acid have?

5-Chlorothiophene-2-carboxylic acid has 1 rotatable bond count.

What is the Exact Mass and Monoisotopic Mass of 5-Chlorothiophene-2-carboxylic acid?

The Exact Mass and Monoisotopic Mass of 5-Chlorothiophene-2-carboxylic acid are both 161.9542282 g/mol.