3-Chlorobenzo[b]thiophene-2-carboxylic acid

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Catalog Number

ACM21211223

Product Name

Structure

CAS

21211-22-3

Category

Heterocyclic Organic Compound

IUPAC Name

3-chloro-1-benzothiophene-2-carboxylic acid

Molecular Weight

212.65g/mol

Molecular Formula

C9H5ClO2S

Canonical SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl

InChI

InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)

InChI Key

HJTMIYKPPPYDRJ-UHFFFAOYSA-N

Complexity

222

Covalently-Bonded Unit Count

Exact Mass

211.969878g/mol

Formal Charge

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Monoisotopic Mass

211.969878g/mol

NSC Number

206632

Rotatable Bond Count

XLogP3

3.4

MSDS

COA

Spec Sheet

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