Name: Name:Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-hydroxy-
Brand: Angene
SKU: AG001AWB
Rating: 90 (10 reviews)

Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-hydroxy-

CAS No.:

1393803-55-8

Catalog Number:

AG001AWB

Molecular Formula:

C9H5ClO3S

Molecular Weight:

228.6522

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Product Description

Catalog Number:

AG001AWB

Chemical Name:

Benzo[b]thiophene-2-carboxylic acid, 6-chloro-3-hydroxy-

CAS Number:

1393803-55-8

Molecular Formula:

C9H5ClO3S

Molecular Weight:

228.6522

MDL Number:

MFCD25958795

IUPAC Name:

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

InChI:

InChI=1S/C9H5ClO3S/c10-4-1-2-5-6(3-4)14-8(7(5)11)9(12)13/h1-3,11H,(H,12,13)

InChI Key:

HYDDMVANLIFXSD-UHFFFAOYSA-N

SMILES:

Clc1ccc2c(c1)sc(c2O)C(=O)O

Properties

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.965g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

228.646g/mol

Monoisotopic Mass:

227.965g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Efficient synthesis and 5-LOX/COX-inhibitory activity of some 3-hydroxybenzo[b]thiophene-2-carboxylic acid derivatives.	Bioorganic & medicinal chemistry letters 20120801