5-(4-Chlorophenyl)thiophene-2-carboxylic Acid - CAS 40133-14-0
Catalog: |
BB024319 |
Product Name: |
5-(4-Chlorophenyl)thiophene-2-carboxylic Acid |
CAS: |
40133-14-0 |
Synonyms: |
5-(4-chlorophenyl)-2-thiophenecarboxylic acid; 5-(4-chlorophenyl)thiophene-2-carboxylic acid |
IUPAC Name: | 5-(4-chlorophenyl)thiophene-2-carboxylic acid |
Description: | 5-(4-Chlorophenyl)thiophene-2-carboxylic Acid (CAS# 40133-14-0) is a useful research chemical. |
Molecular Weight: | 238.69 |
Molecular Formula: | C11H7ClO2S |
Canonical SMILES: | C1=CC(=CC=C1C2=CC=C(S2)C(=O)O)Cl |
InChI: | InChI=1S/C11H7ClO2S/c12-8-3-1-7(2-4-8)9-5-6-10(15-9)11(13)14/h1-6H,(H,13,14) |
InChI Key: | GWLCYLPZQKOCTB-UHFFFAOYSA-N |
Boiling Point: | 418.7 °C at 760 mmHg |
Density: | 1.415 g/cm3 |
MDL: | MFCD00206435 |
LogP: | 3.76670 |
Publication Number | Title | Priority Date |
US-2020247792-A1 | Err inverse agonists | 20170818 |
KR-101657678-B1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
KR-20150052463-A | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
WO-2015069011-A1 | Novel compound, method for preparation thereof, and antifungal composition comprising the same | 20131105 |
JP-2015096499-A | Pharmaceutical composition | 20131011 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 237.9855283 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 237.9855283 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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