3-Chlorobenzothiophene-2-carboxylic Acid - CAS 21211-22-3
Catalog: |
BB016692 |
Product Name: |
3-Chlorobenzothiophene-2-carboxylic Acid |
CAS: |
21211-22-3 |
Synonyms: |
3-chloro-1-benzothiophene-2-carboxylic acid; 3-chloro-1-benzothiophene-2-carboxylic acid |
IUPAC Name: | 3-chloro-1-benzothiophene-2-carboxylic acid |
Description: | 3-Chlorobenzothiophene-2-carboxylic Acid (CAS# 21211-22-3) is a useful research chemical. |
Molecular Weight: | 212.65 |
Molecular Formula: | C9H5ClO2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(S2)C(=O)O)Cl |
InChI: | InChI=1S/C9H5ClO2S/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,(H,11,12) |
InChI Key: | HJTMIYKPPPYDRJ-UHFFFAOYSA-N |
Boiling Point: | 395.1 °C at 760 mmHg |
Density: | 1.546 g/cm3 |
MDL: | MFCD00014579 |
LogP: | 3.25290 |
GHS Hazard Statement: | H302 (86.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112574248-A | Preparation method of di- ((3-chlorobenzothiophene-2-ester group) hexafluorophenoxy) axial substituted silicon phthalocyanine | 20201210 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
PMID | Publication Date | Title | Journal |
19500978 | 20090801 | Potent agonists of the Hedgehog signaling pathway | Bioorganic & medicinal chemistry letters |
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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS