1-(3,4-Dichlorophenyl)cyclopropanecarboxylic Acid - CAS 342386-78-1
Catalog: |
BB022021 |
Product Name: |
1-(3,4-Dichlorophenyl)cyclopropanecarboxylic Acid |
CAS: |
342386-78-1 |
Synonyms: |
1-(3,4-dichlorophenyl)-1-cyclopropanecarboxylic acid; 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid |
Description: | 1-(3,4-Dichlorophenyl)cyclopropanecarboxylic Acid (CAS# 342386-78-1 ) is a useful research chemical. |
Molecular Weight: | 231.08 |
Molecular Formula: | C10H8Cl2O2 |
Canonical SMILES: | C1CC1(C2=CC(=C(C=C2)Cl)Cl)C(=O)O |
InChI: | InChI=1S/C10H8Cl2O2/c11-7-2-1-6(5-8(7)12)10(3-4-10)9(13)14/h1-2,5H,3-4H2,(H,13,14) |
InChI Key: | VNBCEUVYNYCYBW-UHFFFAOYSA-N |
LogP: | 3.10960 |
Publication Number | Title | Priority Date |
AU-2017256172-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
CA-3016303-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
CN-109219602-A | The regulator of CF transmembrane conductance instrumentality albumen | 20160426 |
EP-3448842-A1 | Modulators of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
JP-2019514840-A | Modulator of cystic fibrosis transmembrane conductance regulator protein | 20160426 |
PMID | Publication Date | Title | Journal |
21834094 | 20111004 | Optimisation of the anti-Trypanosoma brucei activity of the opioid agonist U50488 | ChemMedChem |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.9901349 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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