CAS
91065-16-6 Purity
96%
91065-16-6 Purity
96%
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3-(4-Trifluoromethylsulfanyl-phenyl)-propionic acid ethyl ester
CAS
910654-45-4
Catalog Number
ACM910654454
Category
Other Products
Molecular Weight
278.2906296
Molecular Formula
C12H13F3O2S
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Specification
Synonyms
3-(4-TRIFLUOROMETHYLSULFANYL-PHENYL)-PROPIONIC ACID ETHYL ESTER
What is the molecular formula of the compound?
The molecular formula of the compound is C12H13F3O2S.
When was the compound created and last modified?
The compound was created on October 30, 2011, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is ethyl 3-[4-(trifluoromethylsulfanyl)phenyl]propanoate.
What is the InChIKey of the compound?
The InChIKey of the compound is WKKZSSRKIYKWET-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC(=O)CCC1=CC=C(C=C1)SC(F)(F)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 278.29 g/mol.
How many hydrogen bond acceptors does the compound have?
The compound has 6 hydrogen bond acceptors.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 4.5.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 51.6 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
910654-43-2 Purity
96%
910654-43-2 Purity
96%
CAS
91066-47-6 Purity
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91066-47-6 Purity
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