Name: Name:Benzo[b]thiophene-2-carboxylic acid, 3-bromo-
Brand: Angene
SKU: AG002XKS
Rating: 90 (10 reviews)

Benzo[b]thiophene-2-carboxylic acid, 3-bromo-

CAS No.:

29174-66-1

Catalog Number:

AG002XKS

Molecular Formula:

C9H5BrO2S

Molecular Weight:

257.1038

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Product Description

Catalog Number:

AG002XKS

Chemical Name:

Benzo[b]thiophene-2-carboxylic acid, 3-bromo-

CAS Number:

29174-66-1

Molecular Formula:

C9H5BrO2S

Molecular Weight:

257.1038

MDL Number:

MFCD00466543

IUPAC Name:

3-bromo-1-benzothiophene-2-carboxylic acid

InChI:

InChI=1S/C9H5BrO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12)

InChI Key:

UDLGTTKXEYIEMM-UHFFFAOYSA-N

SMILES:

OC(=O)c1sc2c(c1Br)cccc2

Properties

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

255.919g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

257.101g/mol

Monoisotopic Mass:

255.919g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5

Literature

Title	Journal
Benzothiophene carboxamide derivatives as inhibitors of Plasmodium falciparum enoyl-ACP reductase.	IUBMB life 20111201
Synthesis of novel 3-(aryl)benzothieno[2,3-c]pyran-1-ones from Sonogashira products and intramolecular cyclization: Antitumoral activity evaluation.	European journal of medicinal chemistry 20090501

Properties