1-(3,4-Dichlorophenyl)cyclopentanecarboxylic Acid - CAS 437650-06-1
Catalog: |
BB025453 |
Product Name: |
1-(3,4-Dichlorophenyl)cyclopentanecarboxylic Acid |
CAS: |
437650-06-1 |
Synonyms: |
1-(3,4-dichlorophenyl)-1-cyclopentanecarboxylic acid; 1-(3,4-dichlorophenyl)cyclopentane-1-carboxylic acid |
IUPAC Name: | 1-(3,4-dichlorophenyl)cyclopentane-1-carboxylic acid |
Description: | 1-(3,4-Dichlorophenyl)cyclopentanecarboxylic Acid (CAS# 437650-06-1) is a useful research chemical. |
Molecular Weight: | 259.13 |
Molecular Formula: | C12H12Cl2O2 |
Canonical SMILES: | C1CCC(C1)(C2=CC(=C(C=C2)Cl)Cl)C(=O)O |
InChI: | InChI=1S/C12H12Cl2O2/c13-9-4-3-8(7-10(9)14)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16) |
InChI Key: | JYVJTQGEWALLOO-UHFFFAOYSA-N |
LogP: | 3.88980 |
Publication Number | Title | Priority Date |
AU-2007205114-A1 | Cycloalkylamines as monoamine reuptake inhibitors | 20060106 |
AU-2007205114-B2 | Cycloalkylamines as monoamine reuptake inhibitors | 20060106 |
BR-PI0706365-A2 | CYCLEalkylamines as monoamine reuptake inhibitors | 20060106 |
CA-2636324-C | Cycloalkylamines as monoamine reuptake inhibitors | 20060106 |
CN-101394847-B | Cycloalkylamines as monoamine reuptake inhibitors | 20060106 |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.021435 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.021435 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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