CAS
898792-97-7 Purity
96%
898792-97-7 Purity
96%
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Ethyl 7-(3,5-ditrifluoromethylphenyl)-7-oxoheptanoate
CAS
898793-00-5
Catalog Number
ACM898793005
Category
Other Products
Molecular Weight
384.31
Molecular Formula
C17H18F6O3
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Specification
Synonyms
ETHYL 7-(3,5-DITRIFLUOROMETHYLPHENYL)-7-OXOHEPTANOATE
IUPAC Name
ethyl 7-[3,5-bis(trifluoromethyl)phenyl]-7-oxoheptanoate
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
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 Ų.
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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