CAS
952959-45-4 Purity
96%
952959-45-4 Purity
96%
![4H-1,3,5-Thiadiazin-4-one,2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-,(2Z)-](https://resource.alfa-chemistry.com/structure/953030-84-7.gif)
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3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester
CAS
95299-16-4
Catalog Number
ACM95299164
Category
Other Products
Molecular Weight
286.17
Molecular Formula
C11H8F6O2
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Specification
Density
1.367
What is the molecular formula of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The molecular formula is C11H8F6O2.
What is the molecular weight of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The molecular weight is 286.17 g/mol.
What is the IUPAC name of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The IUPAC name is methyl 2-[3,5-bis(trifluoromethyl)phenyl]acetate.
What is the InChI of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The InChI is InChI=1S/C11H8F6O2/c1-19-9(18)4-6-2-7(10(12,13)14)5-8(3-6)11(15,16)17/h2-3,5H,4H2,1H3.
What is the InChIKey of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The InChIKey is URDXSDHDNSBKHI-UHFFFAOYSA-N.
What is the Canonical SMILES of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The Canonical SMILES is COC(=O)CC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.
What is the XLogP3-AA value of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The XLogP3-AA value is 3.5.
How many hydrogen bond acceptors are present in 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
There are 8 hydrogen bond acceptors present.
What is the topological polar surface area of 3,5-Bis-(trifluoromethyl)phenyl acetic acid methyl ester?
The topological polar surface area is 26.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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