6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid - CAS 66490-32-2
Catalog: |
BB033040 |
Product Name: |
6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid |
CAS: |
66490-32-2 |
Synonyms: |
6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid; 6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid |
IUPAC Name: | 6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid |
Description: | 6-chloro-3-methyl-1-benzothiophene-2-carboxylic acid (CAS# 66490-32-2 ) is a useful research chemical. |
Molecular Weight: | 226.674 |
Molecular Formula: | C10H7ClO2S |
Canonical SMILES: | CC1=C(SC2=C1C=CC(=C2)Cl)C(=O)O |
InChI: | InChI=1S/C10H7ClO2S/c1-5-7-3-2-6(11)4-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) |
InChI Key: | QEINRGCVGFKPIW-UHFFFAOYSA-N |
LogP: | 3.56130 |
Publication Number | Title | Priority Date |
AU-2016340798-A1 | Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors | 20151020 |
CA-3002801-A1 | Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors | 20151020 |
EP-3365061-A1 | Aminoisoxazoline compounds as agonists of alpha7-nicotinic acetylcholine receptors | 20151020 |
JP-2018531262-A | Aminoisoxazoline compounds as agonists of α7-nicotinic acetylcholine receptors | 20151020 |
US-2017247393-A1 | Aminoisoxazoline Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors | 20151020 |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.9855283 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.9855283 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Benzofuran/Benzothiophene
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS