CAS
898792-88-6 Purity
96%
898792-88-6 Purity
96%
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Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate
CAS
898792-91-1
Catalog Number
ACM898792911
Category
Other Products
Molecular Weight
342.23
Molecular Formula
C14H12F6O3
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Specification
Synonyms
ETHYL 4-(3,5-DITRIFLUOROMETHYLPHENYL)-4-OXOBUTYRATE
IUPAC Name
ethyl 4-[3,5-bis(trifluoromethyl)phenyl]-4-oxobutanoate
Canonical SMILES
CCOC(=O)CCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F
InChI Key
DCTDVDJDNQPXFQ-UHFFFAOYSA-N
Boiling Point
297.1ºC at 760 mmHg
Flash Point
129.3ºC
Density
1.329g/cm³
Exact Mass
342.06900
H-Bond Acceptor
9
H-Bond Donor
0
What is the molecular formula of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
The molecular formula of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate is C14H12F6O3.
When was Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate first created in PubChem?
Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate was first created in PubChem on February 29, 2008.
What is the molecular weight of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
The molecular weight of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate is 342.23 g/mol.
What is the IUPAC name of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
The IUPAC name of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate is ethyl 4-[3,5-bis(trifluoromethyl)phenyl]-4-oxobutanoate.
What is the Canonical SMILES representation of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
The Canonical SMILES representation of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate is CCOC(=O)CCC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F.
How many hydrogen bond acceptor counts are there in Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
There are 9 hydrogen bond acceptor counts in Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate.
What is the XLogP3-AA value of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
The XLogP3-AA value of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate is 3.5.
How many rotatable bond counts are there in Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
There are 6 rotatable bond counts in Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate.
What is the topological polar surface area of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate?
The topological polar surface area of Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate is 43.4 Ų.
Does Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate have a defined atom stereocenter count?
No, Ethyl 4-(3,5-ditrifluoromethylphenyl)-4-oxobutyrate does not have a defined atom stereocenter count.
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