CAS
90525-36-3 Purity
96%
90525-36-3 Purity
96%
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4-Cyano-3-fluorophenyl trans-4-propylcyclohexanecarboxylate
CAS
90525-57-8
Catalog Number
ACM90525578
Category
Other Products
Molecular Formula
C17H20FNO2
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Specification
Synonyms
4-CYANO-3-FLUOROPHENYL TRANS-4-PROPYLCYCLOHEXANECARBOXYLATE
What is the molecular formula of 4-Cyano-3-fluorophenyl trans-4-propylcyclohexanecarboxylate?
The molecular formula is C17H20FNO2.
When was the compound created and modified?
It was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is "(4-cyano-3-fluorophenyl) 4-propylcyclohexane-1-carboxylate."
What is the InChI of the compound?
The InChI is InChI=1S/C17H20FNO2/c1-2-3-12-4-6-13(7-5-12)17(20)21-15-9-8-14(11-19)16(18)10-15/h8-10,12-13H,2-7H2,1H3.
What is the InChIKey of the compound?
The InChIKey is FVNRZUYRHIAXDA-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F.
What is the molecular weight of the compound?
The molecular weight is 289.34 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.9.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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