CAS
90525-37-4 Purity
96%
90525-37-4 Purity
96%
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4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate
CAS
90525-59-0
Catalog Number
ACM90525590
Category
Other Products
Molecular Formula
C19H24FNO2
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Specification
Synonyms
4-CYANO-3-FLUOROPHENYL TRANS-4-PENTYLCYCLOHEXANECARBOXYLATE
What is the molecular formula of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The molecular formula is C19H24FNO2.
What is the molecular weight of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The molecular weight is 317.4 g/mol.
What is the IUPAC name of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The IUPAC name is (4-cyano-3-fluorophenyl) 4-pentylcyclohexane-1-carboxylate.
What is the InChI of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The InChI is InChI=1S/C19H24FNO2/c1-2-3-4-5-14-6-8-15(9-7-14)19(22)23-17-11-10-16(13-21)18(20)12-17/h10-12,14-15H,2-9H2,1H3.
What is the InChIKey of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The InChIKey is UXWUXPHWGMBQBU-UHFFFAOYSA-N.
What is the Canonical SMILES of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The Canonical SMILES is CCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F.
What is the XLogP3-AA value of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
The XLogP3-AA value is 6.
How many hydrogen bond acceptors are in the molecule of 4-Cyano-3-fluorophenyl trans-4-pentylcyclohexanecarboxylate?
There are 4 hydrogen bond acceptors in the molecule.
What is the topological polar surface area of the molecule?
The topological polar surface area is 50.1 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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