Ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate

CAS
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CAS
898792-97-7
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898792977

Product Name

Ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate

Structure

Structure

CAS

898792-97-7

Category

Heterocyclic Organic Compound

Synonyms

ETHYL 6-(3,5-DITRIFLUOROMETHYLPHENYL)-6-OXOHEXANOATE

IUPAC Name

ethyl 6-[3,5-bis(trifluoromethyl)phenyl]-6-oxohexanoate

Molecular Weight

370.29

Molecular Formula

C₁₆H₁₆F₆O₃

Canonical SMILES

CCOC(=O)CCCCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChI Key

HEORLJCWMDPBAM-UHFFFAOYSA-N

Boiling Point

320.3ºC at 760 mmHg

Flash Point

142.8ºC

Density

1.274g/cm³

Exact Mass

370.10000

H-Bond Acceptor

9

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate?

The molecular formula is C16H16F6O3.

When was ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate created?

It was created on February 29, 2008.

What is the IUPAC name of ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate?

The IUPAC name is ethyl 6-[3,5-bis(trifluoromethyl)phenyl]-6-oxohexanoate.

What is the InChIKey of ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate?

The InChIKey is HEORLJCWMDPBAM-UHFFFAOYSA-N.

How many hydrogen bond acceptors does ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate have?

It has 9 hydrogen bond acceptors.

What is the topological polar surface area of ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate?

The topological polar surface area is 43.4 Å².

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the XLogP3-AA value of ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate?

The XLogP3-AA value is 4.2.

How many rotatable bonds does ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate have?

It has 8 rotatable bonds.

What is the exact mass of ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate?

The exact mass is 370.10036334 g/mol.

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