2-(Trifluoromethyl)-2',3',4',5'-tetrahydrobiphenyl-4-carboxylic Acid - CAS 1034188-31-2
Catalog: |
BB001110 |
Product Name: |
2-(Trifluoromethyl)-2',3',4',5'-tetrahydrobiphenyl-4-carboxylic Acid |
CAS: |
1034188-31-2 |
Synonyms: |
4-(1-cyclohexenyl)-3-(trifluoromethyl)benzoic acid; 4-(cyclohexen-1-yl)-3-(trifluoromethyl)benzoic acid |
IUPAC Name: | 4-(cyclohexen-1-yl)-3-(trifluoromethyl)benzoic acid |
Description: | 2-(Trifluoromethyl)-2',3',4',5'-tetrahydrobiphenyl-4-carboxylic Acid (CAS# 1034188-31-2) is a useful research chemical. |
Molecular Weight: | 270.25 |
Molecular Formula: | C14H13F3O2 |
Canonical SMILES: | C1CCC(=CC1)C2=C(C=C(C=C2)C(=O)O)C(F)(F)F |
InChI: | InChI=1S/C14H13F3O2/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h4,6-8H,1-3,5H2,(H,18,19) |
InChI Key: | GBPKMRHYCIDENN-UHFFFAOYSA-N |
LogP: | 4.36100 |
Publication Number | Title | Priority Date |
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 |
EP-3400211-A1 | Azetidine modulators of the sphingosine 1-phosphate receptor | 20160104 |
Complexity: | 373 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 270.08676414 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 270.08676414 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
-
[75726-96-4]
2-Bromo-N-isopropylacetamide
-
[1984-15-2]
Methylenediphosphonic acid
-
[169689-05-8]
1S,2S-DHAC-Phenyl Trost Ligand
-
[597-35-3]
ethylsulfone
-
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
-
[875573-66-3]
Estra-1,3,5(10)-triene-3,17-diol,7-(9-bromononyl)-,17-acetate,(7a,17b)-
INDUSTRY LEADERS TRUST OUR PRODUCTS