5-[3-(Trifluoromethyl)phenyl]thiophene-2-carbaldehyde - CAS 886508-92-5
Catalog: |
BB039123 |
Product Name: |
5-[3-(Trifluoromethyl)phenyl]thiophene-2-carbaldehyde |
CAS: |
886508-92-5 |
Synonyms: |
5-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxaldehyde; 5-[3-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde |
IUPAC Name: | 5-[3-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde |
Description: | 5-[3-(Trifluoromethyl)phenyl]thiophene-2-carbaldehyde (CAS# 886508-92-5) is a useful research chemical. |
Molecular Weight: | 256.24 |
Molecular Formula: | C12H7F3OS |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(S2)C=O |
InChI: | InChI=1S/C12H7F3OS/c13-12(14,15)9-3-1-2-8(6-9)11-5-4-10(7-16)17-11/h1-7H |
InChI Key: | BUZGDMKPJZIHIO-UHFFFAOYSA-N |
LogP: | 4.24640 |
Publication Number | Title | Priority Date |
US-2010216762-A1 | Agonists and Antagonists of the S1P5 Receptor, and Methods of Use Thereof | 20090210 |
WO-2010093704-A1 | Agonists and antagonists of the s1p5 receptor, and methods of uses thereof | 20090210 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0169705 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0169705 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 45.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.9 |
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