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7-Chlorobenzo[b]thiophene-2-carboxylic Acid

7-Chlorobenzo[b]thiophene-2-carboxylic Acid - CAS 90407-16-2

Catalog:	BB039843
Product Name:	7-Chlorobenzo[b]thiophene-2-carboxylic Acid
CAS:	90407-16-2
Synonyms:	7-chloro-1-benzothiophene-2-carboxylic acid; 7-chloro-1-benzothiophene-2-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	7-chloro-1-benzothiophene-2-carboxylic acid
Description:	7-Chlorobenzo[b]thiophene-2-carboxylic Acid (CAS# 90407-16-2) is a useful research chemical.
Molecular Weight:	212.65
Molecular Formula:	C9H5ClO2S
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)SC(=C2)C(=O)O
InChI:	InChI=1S/C9H5ClO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
InChI Key:	AAXOHLXWCUMMQS-UHFFFAOYSA-N
Boiling Point:	408.6 °C at 760 mmHg
Density:	1.546 g/cm³
MDL:	MFCD07377072
LogP:	3.25290

Publication Number	Title	Priority Date
WO-2017060287-A1	Process for the preparation of encenicline from 7-chloro-benzo[b]thiophene-2-carboxylic acid chloride and (r)-quinuclidin-3-amine in the presence of imidazole	20151005
KR-20150095606-A	Slurry Composition for Chemical Mechanical Polishing	20150803
WO-2016191366-A1	MODULATORS FOR NICOTINIC ACETYLCHOLINE RECEPTOR Î±2 AND Î±4 SUBUNITS	20150528
AU-2015362790-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
CA-2971413-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	222
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.9698783
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	211.9698783
Rotatable Bond Count:	1
Topological Polar Surface Area:	65.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4