Ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate

CAS
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CAS
898793-00-5
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM898793005

Product Name

Ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate

Structure

Structure

CAS

898793-00-5

Category

Heterocyclic Organic Compound

Synonyms

ETHYL 7-(3,5-DITRIFLUOROMETHYLPHENYL)-7-OXOHEPTANOATE

IUPAC Name

ethyl 7-[3,5-bis(trifluoromethyl)phenyl]-7-oxoheptanoate

Molecular Weight

384.31

Molecular Formula

C₁₇H₁₈F₆O₃

Canonical SMILES

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

InChI Key

NECFAZOOPVQHKD-UHFFFAOYSA-N

Boiling Point

336.7ºC at 760 mmHg

Flash Point

152.2ºC

Density

1.251g/cm³

Exact Mass

384.11600

H-Bond Acceptor

9

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

The molecular formula is C17H18F6O3.

What are some synonyms of ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

Some synonyms include ethyl 7-[3,5-bis(trifluoromethyl)phenyl]-7-oxoheptanoate and MFCD01311606.

When was ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate first created in PubChem?

It was first created in PubChem on 2008-02-29.

What is the molecular weight of ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

The molecular weight is 384.31 g/mol.

What is the InChIKey of ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

The InChIKey is NECFAZOOPVQHKD-UHFFFAOYSA-N.

How many hydrogen bond donor counts does ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate have?

It has 0 hydrogen bond donor count.

What is the XLogP3-AA value of ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

The XLogP3-AA value is 4.8.

What is the topological polar surface area of ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

The topological polar surface area is 43.4 Å².

How many rotatable bond counts are there in ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate?

There are 9 rotatable bond counts.

Is the compound canonicalized in PubChem?

Yes, the compound is canonicalized in PubChem.

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