7-chloro-1-benzofuran-2-carboxylic acid - CAS 63558-84-9

Catalog:	BB032196
Product Name:	7-chloro-1-benzofuran-2-carboxylic acid
CAS:	63558-84-9
Synonyms:	7-chloro-2-benzofurancarboxylic acid; 7-chloro-1-benzofuran-2-carboxylic acid

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Computed Properties

IUPAC Name:	7-chloro-1-benzofuran-2-carboxylic acid
Description:	7-chloro-1-benzofuran-2-carboxylic acid (CAS# 63558-84-9) is used as a reactant in the preparation of (pyridopyrimidinylalkyl)benzofuropyridines with α1-antagonistic and antidepressant activities.
Molecular Weight:	196.586
Molecular Formula:	C9H5ClO3
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)OC(=C2)C(=O)O
InChI:	InChI=1S/C9H5ClO3/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-4H,(H,11,12)
InChI Key:	RWLLNFLRPKWFIF-UHFFFAOYSA-N
LogP:	2.78440

Publication Number	Title	Priority Date
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
EP-3233087-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3233087-B1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216
EP-3623371-A1	Geminal substituted quinuclidine amide compounds as agonists of alpha-7 nicotinic acetylcholine receptors	20141216

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Related Functional Groups

Benzofuran/Benzothiophene

[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[76981-71-0]
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[174186-43-7]
6,7,8,9-Tetrahydrodibenzo[b,d]furan-4-carboxylic acid
[2649788-75-8]
tert-butyl N-(4-bromo-3-cyano-benzothiophen-2-yl)carbamate

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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:	219
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	195.9927217
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	195.9927217
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3