CAS
94982-02-2 Purity
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94982-02-2 Purity
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Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]-
CAS
949867-67-8
Catalog Number
ACM949867678
Category
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What is the molecular formula of Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
The molecular formula is C20H21F3N2O3.
When was Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl] created and modified?
It was created on May 27, 2009, and last modified on December 30, 2023.
What is the IUPAC name of Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
The IUPAC name is (6,7-diethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-[6-(trifluoromethyl)pyridin-3-yl]methanone.
What is the InChIKey of Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
The InChIKey is ZRRASNMOJPABLU-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
There are 7 hydrogen bond acceptors.
What is the XLogP3-AA value of Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
The XLogP3-AA value is 3.4.
What is the topological polar surface area of Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
The topological polar surface area is 51.7 Ų.
How many rotatable bond counts are there in Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
There are 5 rotatable bond counts.
What is the heavy atom count of Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
The heavy atom count is 28.
Is the compound canonicalized for Methanone,(6,7-diethoxy-3,4-dihydro-2(1H)-isoquinolinyl)[6-(trifluoromethyl)-3-pyridinyl]?
Yes, the compound is canonicalized.
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