CAS
947331-10-4 Purity
96%
947331-10-4 Purity
96%
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Cyclohexanecarboxylic acid,4-butyl-,3,4-difluorophenyl ester,trans-
CAS
94737-81-2
Catalog Number
ACM94737812
Category
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What is the molecular formula of Cyclohexanecarboxylic acid, 4-butyl-, 3,4-difluorophenyl ester, trans-?
The molecular formula is C17H22F2O2.
When was the compound created in PubChem?
The compound was created on February 8, 2007.
What is the molecular weight of the compound?
The molecular weight is 296.35 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (3,4-difluorophenyl) 4-butylcyclohexane-1-carboxylate.
What is the InChI of the compound?
The InChI is InChI=1S/C17H22F2O2/c1-2-3-4-12-5-7-13(8-6-12)17(20)21-14-9-10-15(18)16(19)11-14/h9-13H,2-8H2,1H3.
What is the InChIKey of the compound?
The InChIKey is LQSKDOMHHYJTAK-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)F)F.
What is the CAS number of Cyclohexanecarboxylic acid, 4-butyl-, 3,4-difluorophenyl ester, trans-?
The CAS number is 94737-81-2.
How many hydrogen bond acceptors are in the compound?
There are 4 hydrogen bond acceptors in the compound.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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