5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylic Acid - CAS 2191434-19-0
Catalog: |
BB017204 |
Product Name: |
5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylic Acid |
CAS: |
2191434-19-0 |
Synonyms: |
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-isoxazolecarboxylic acid; 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid |
IUPAC Name: | 5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole-4-carboxylic acid |
Description: | 5-Cyclopropyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylic Acid (CAS# 2191434-19-0 ) is a useful research chemical. |
Molecular Weight: | 298.12 |
Molecular Formula: | C13H9Cl2NO3 |
Canonical SMILES: | C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)C(=O)O |
InChI: | InChI=1S/C13H9Cl2NO3/c14-7-2-1-3-8(15)9(7)11-10(13(17)18)12(19-16-11)6-4-5-6/h1-3,6H,4-5H2,(H,17,18) |
InChI Key: | RYDPZPPGEPZFAD-UHFFFAOYSA-N |
LogP: | 4.22400 |
Publication Number | Title | Priority Date |
CN-111278817-A | Polycyclic compounds as farnesoid X receptor modulators | 20171101 |
US-2019127358-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
WO-2019089664-A1 | Multicyclic compounds as farnesoid x receptor modulators | 20171101 |
EP-3704107-A1 | Multicyclic compounds as farnesoid x receptor modulators | 20171101 |
EP-3704113-A1 | Bridged bicyclic compounds as farnesoid x receptor modulators | 20171101 |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.9959485 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.9959485 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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