1-(2-Chloro-4-fluorophenyl)cyclopentanecarboxylic Acid - CAS 214263-01-1
Catalog: |
BB016840 |
Product Name: |
1-(2-Chloro-4-fluorophenyl)cyclopentanecarboxylic Acid |
CAS: |
214263-01-1 |
Synonyms: |
1-(2-chloro-4-fluorophenyl)-1-cyclopentanecarboxylic acid; 1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxylic acid |
IUPAC Name: | 1-(2-chloro-4-fluorophenyl)cyclopentane-1-carboxylic acid |
Description: | 1-(2-Chloro-4-fluorophenyl)cyclopentanecarboxylic Acid (CAS# 214263-01-1) is a useful research chemical. |
Molecular Weight: | 242.67 |
Molecular Formula: | C12H12ClFO2 |
Canonical SMILES: | C1CCC(C1)(C2=C(C=C(C=C2)F)Cl)C(=O)O |
InChI: | InChI=1S/C12H12ClFO2/c13-10-7-8(14)3-4-9(10)12(11(15)16)5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,15,16) |
InChI Key: | RKEURCWSQHENQO-UHFFFAOYSA-N |
Boiling Point: | 361.9 °C at 760 mmHg |
LogP: | 3.37550 |
Publication Number | Title | Priority Date |
WO-2020048830-A1 | 5-aryl-3,9-diazaspiro[5.5]undecan-2-one compounds | 20180903 |
AU-2012288511-A1 | Heterocyclic amide derivatives as P2X7 receptor antagonists | 20110722 |
CA-2838640-A1 | Heterocyclic amide derivatives as p2x7 receptor antagonists | 20110722 |
CA-2838640-C | Heterocyclic amide derivatives as p2x7 receptor antagonists | 20110722 |
EP-2734526-A1 | Heterocyclic amide derivatives as p2x7 receptor antagonists | 20110722 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0509855 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0509855 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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