CAS
898792-94-4 Purity
96%
898792-94-4 Purity
96%
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Ethyl 6-(3,5-ditrifluoromethylphenyl)-6-oxohexanoate
CAS
898792-97-7
Catalog Number
ACM898792977
Category
Other Products
Molecular Weight
370.29
Molecular Formula
C16H16F6O3
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Specification
Synonyms
ETHYL 6-(3,5-DITRIFLUOROMETHYLPHENYL)-6-OXOHEXANOATE
IUPAC Name
ethyl 6-[3,5-bis(trifluoromethyl)phenyl]-6-oxohexanoate
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
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 Ų.
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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