1-(3-Chlorophenyl)cyclopentanecarboxylic Acid - CAS 143328-21-6
Catalog: |
BB009560 |
Product Name: |
1-(3-Chlorophenyl)cyclopentanecarboxylic Acid |
CAS: |
143328-21-6 |
Synonyms: |
1-(3-chlorophenyl)-1-cyclopentanecarboxylic acid; 1-(3-chlorophenyl)cyclopentane-1-carboxylic acid |
IUPAC Name: | 1-(3-chlorophenyl)cyclopentane-1-carboxylic acid |
Description: | A halo-substituted phenylcyclopentyl compound incorporated in the structure of semisynthetic penicillins and cephalosporins to enhance bactericidal activity and reduce toxicities. |
Molecular Weight: | 224.68 |
Molecular Formula: | C12H13ClO2 |
Canonical SMILES: | C1CCC(C1)(C2=CC(=CC=C2)Cl)C(=O)O |
InChI: | InChI=1S/C12H13ClO2/c13-10-5-3-4-9(8-10)12(11(14)15)6-1-2-7-12/h3-5,8H,1-2,6-7H2,(H,14,15) |
InChI Key: | GGEPQYZXKVJSEX-UHFFFAOYSA-N |
Appearance: | White powder |
LogP: | 3.23640 |
Publication Number | Title | Priority Date |
CN-113061098-A | Amide compound and derivative thereof, preparation method, pharmaceutical composition and application | 20210118 |
WO-2020048826-A1 | 5-substituted 1-oxa-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
EP-2060563-A1 | Cyclic aminoalkylcarboxamide derivative | 20060908 |
JP-WO2008029924-A1 | Cyclic aminoalkylcarboxamide derivatives | 20060908 |
US-2010179118-A1 | Cyclic aminoalkylcarboxamide derivative | 20060908 |
Complexity: | 246 |
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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