4-Cyclohexyl-3-(trifluoromethyl)benzoic Acid - CAS 916806-97-8
Catalog: |
BB040316 |
Product Name: |
4-Cyclohexyl-3-(trifluoromethyl)benzoic Acid |
CAS: |
916806-97-8 |
Synonyms: |
4-cyclohexyl-3-(trifluoromethyl)benzoic acid; 4-cyclohexyl-3-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-cyclohexyl-3-(trifluoromethyl)benzoic acid |
Description: | 4-Cyclohexyl-3-(trifluoromethyl)benzoic Acid (CAS# 916806-97-8 ) is a useful research chemical. |
Molecular Weight: | 272.26 |
Molecular Formula: | C14H15F3O2 |
Canonical SMILES: | C1CCC(CC1)C2=C(C=C(C=C2)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C14H15F3O2/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h6-9H,1-5H2,(H,18,19) |
InChI Key: | XIWQGDFYIINJLV-UHFFFAOYSA-N |
LogP: | 4.45130 |
Publication Number | Title | Priority Date |
CN-111807954-A | Preparation method of siponimod intermediate | 20190410 |
WO-2019064184-A1 | PROCESS FOR THE PREPARATION OF SIPONIMOD, ITS SALTS AND ASSOCIATED SOLID STATE FORMS | 20170927 |
CN-111405897-A | Process for the preparation of siponimod, its salts and solid forms | 20170927 |
JP-2020535175-A | Process for the preparation of siponimod, its salt and its solid state foam | 20170927 |
US-2020290961-A1 | Process for preparation of siponimod, its salts and solid state forms thereof | 20170927 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.1024142 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.1024142 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.9 |
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