Ethyl 2-[4-(Trifluoromethyl)phenyl]acetate - CAS 721-63-1
Catalog: |
BB034558 |
Product Name: |
Ethyl 2-[4-(Trifluoromethyl)phenyl]acetate |
CAS: |
721-63-1 |
Synonyms: |
2-[4-(trifluoromethyl)phenyl]acetic acid ethyl ester; ethyl 2-[4-(trifluoromethyl)phenyl]acetate |
IUPAC Name: | ethyl 2-[4-(trifluoromethyl)phenyl]acetate |
Description: | Ethyl 2-[4-(Trifluoromethyl)phenyl]acetate (CAS# 721-63-1) is a useful research chemical. |
Molecular Weight: | 232.20 |
Molecular Formula: | C11H11F3O2 |
Canonical SMILES: | CCOC(=O)CC1=CC=C(C=C1)C(F)(F)F |
InChI: | InChI=1S/C11H11F3O2/c1-2-16-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3 |
InChI Key: | BDVKGYOFECBKDX-UHFFFAOYSA-N |
Boiling Point: | 239.567 °C at 760 mmHg |
Density: | 1.207 g/cm3 |
MDL: | MFCD07779351 |
LogP: | 2.81100 |
Publication Number | Title | Priority Date |
WO-2021133749-A1 | Substituted piperazine derivatives useful as t cell activators | 20191223 |
EP-3286192-A1 | Substituted pyrazolopyrimidines and method of use | 20150420 |
US-10155770-B2 | Substituted pyrazolopyrimidines and method of use | 20150420 |
US-2016304527-A1 | Substituted pyrazolopyrimidines and method of use | 20150420 |
US-2018105530-A1 | Substituted pyrazolopyrimidines and method of use | 20150420 |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.07111408 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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