CAS
898793-00-5 Purity
96%
898793-00-5 Purity
96%
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Ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate
CAS
898793-03-8
Catalog Number
ACM898793038
Category
Other Products
Molecular Weight
398.3487
Molecular Formula
C18H20F6O3
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Specification
Synonyms
AKOS016023152, ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate, 898793-03-8
IUPAC Name
ethyl 8-[3,5-bis(trifluoromethyl)phenyl]-8-oxooctanoate
Canonical SMILES
CCOC(=O)CCCCCCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI Key
ICLFRKXQUBFXJH-UHFFFAOYSA-N
Boiling Point
352.6ºC at 760 mmHg
Flash Point
161.5ºC
Density
1.231g/cm³
Exact Mass
398.13200
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate?
The molecular formula is C18H20F6O3.
When was ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate created?
It was created on 2008-02-29.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 8-[3,5-bis(trifluoromethyl)phenyl]-8-oxooctanoate.
What is the molecular weight of ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate?
The molecular weight is 398.3 g/mol.
How many hydrogen bond acceptors does the compound have?
It has 9 hydrogen bond acceptors.
What is the XLogP3-AA value of ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate?
The XLogP3-AA value is 5.3.
What is the exact mass of the compound?
The exact mass is 398.13166347 g/mol.
How many rotatable bond counts does the compound have?
It has 10 rotatable bond counts.
Is ethyl 8-(3,5-ditrifluoromethylphenyl)-8-oxooctanoate a canonicalized compound?
Yes, it is a canonicalized compound.
What is the topological polar surface area of the compound?
The topological polar surface area is 43.4 Ų.
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