1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarboxylic Acid - CAS 334477-30-4
Catalog: |
BB021718 |
Product Name: |
1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarboxylic Acid |
CAS: |
334477-30-4 |
Synonyms: |
1-[3,5-bis(trifluoromethyl)phenyl]-1-cyclopropanecarboxylic acid; 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-[3,5-bis(trifluoromethyl)phenyl]cyclopropane-1-carboxylic acid |
Description: | 1-[3,5-Bis(trifluoromethyl)phenyl]cyclopropanecarboxylic Acid (CAS# 334477-30-4 ) is a useful research chemical. |
Molecular Weight: | 298.18 |
Molecular Formula: | C12H8F6O2 |
Canonical SMILES: | C1CC1(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)O |
InChI: | InChI=1S/C12H8F6O2/c13-11(14,15)7-3-6(10(1-2-10)9(19)20)4-8(5-7)12(16,17)18/h3-5H,1-2H2,(H,19,20) |
InChI Key: | MAMGQKYBCOXNOO-UHFFFAOYSA-N |
LogP: | 3.84040 |
Publication Number | Title | Priority Date |
EP-2336105-A1 | Nitrogen-containing heterocyclic compound and use of same | 20080919 |
EP-2336105-B1 | Nitrogen-containing heterocyclic compound and use of same | 20080919 |
EP-2336105-B9 | Nitrogen-containing heterocyclic compound and use of same | 20080919 |
JP-5580741-B2 | Nitrogen-containing heterocyclic compounds and uses thereof | 20080919 |
JP-WO2010032856-A1 | Nitrogen-containing heterocyclic compounds and uses thereof | 20080919 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.04284847 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.04284847 |
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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