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 |
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 |
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 |
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 |
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 |
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