1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid - CAS 80789-69-1
Catalog: |
BB036550 |
Product Name: |
1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid |
CAS: |
80789-69-1 |
Synonyms: |
1-(4-chlorophenyl)cyclopentane-1-carboxylic acid |
IUPAC Name: | 1-(4-chlorophenyl)cyclopentane-1-carboxylic acid |
Description: | 1-(4-Chlorophenyl)-1-cyclopentanecarboxylic acid (CAS# 80789-69-1) is a useful research chemical. |
Molecular Weight: | 224.68 |
Molecular Formula: | C12H13ClO2 |
Canonical SMILES: | C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)O |
InChI: | InChI=1S/C12H13ClO2/c13-10-5-3-9(4-6-10)12(11(14)15)7-1-2-8-12/h3-6H,1-2,7-8H2,(H,14,15) |
InChI Key: | QJNFJEMGWIQMJT-UHFFFAOYSA-N |
Boiling Point: | 364.6 °C at 760 mmHg |
Melting Point: | 162-164 °C (lit.) |
Purity: | 95 % |
Density: | 1.28 g/cm3 |
MDL: | MFCD00001373 |
LogP: | 3.23640 |
Publication Number | Title | Priority Date |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
WO-2020048830-A1 | 5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
JP-2019514840-A | Modulator of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
US-10118916-B2 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
PMID | Publication Date | Title | Journal |
21793560 | 20110905 | Syntheses, molecular structures, electrochemical behavior, theoretical study, and antitumor activities of organotin(IV) complexes containing 1-(4-chlorophenyl)-1-cyclopentanecarboxylato ligands | Inorganic chemistry |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0604073 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0604073 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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