CAS
125096-72-2 Purity
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125096-72-2 Purity
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(3R,4R)-ethyl 3-(4-bromo-2-fluorophenyl)-1-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-4-carboxylate
CAS
1260606-41-4
Catalog Number
ACM1260606414
Category
Bromine Series
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What is the molecular formula of the compound CID 60145966?
The molecular formula of the compound CID 60145966 is C21H21BrFNO3.
When was the compound CID 60145966 created and last modified?
The compound CID 60145966 was created on 2012-08-27 and last modified on 2023-12-02.
What is the IUPAC name of the compound CID 60145966?
The IUPAC name of the compound CID 60145966 is ethyl (3R,4R)-3-(4-bromo-2-fluorophenyl)-1-oxo-2-propyl-3,4-dihydroisoquinoline-4-carboxylate.
What is the InChIKey of the compound CID 60145966?
The InChIKey of the compound CID 60145966 is JYWPIVHJWDJGEO-MOPGFXCFSA-N.
How many hydrogen bond acceptor counts does the compound CID 60145966 have?
The compound CID 60145966 has 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound CID 60145966?
The XLogP3-AA value of the compound CID 60145966 is 4.6.
What is the topological polar surface area of the compound CID 60145966?
The topological polar surface area of the compound CID 60145966 is 46.6 Ų.
How many rotatable bond counts does the compound CID 60145966 have?
The compound CID 60145966 has 6 rotatable bond counts.
Is the compound CID 60145966 canonicalized?
Yes, the compound CID 60145966 is canonicalized.
How many defined atom stereocenter counts does the compound CID 60145966 have?
The compound CID 60145966 has 2 defined atom stereocenter counts.
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