CAS
898791-59-8 Purity
96%
898791-59-8 Purity
96%
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3-Chloro-4-fluorophenyl cyclopentyl ketone
CAS
898791-62-3
Catalog Number
ACM898791623
Category
Other Products
Molecular Weight
226.67
Molecular Formula
C12H12ClFO
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Specification
Synonyms
3-CHLORO-4-FLUOROPHENYL CYCLOPENTYL KETONE
IUPAC Name
(3-chloro-4-fluorophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=CC(=C(C=C2)F)Cl
InChI Key
UXRHERPWKDXHKG-UHFFFAOYSA-N
Boiling Point
333ºC at 760 mmHg
Flash Point
155.2ºC
Density
1.246g/cm³
Exact Mass
226.05600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The molecular formula of 3-Chloro-4-fluorophenyl cyclopentyl ketone is C12H12ClFO.
When was the PubChem CID for 3-Chloro-4-fluorophenyl cyclopentyl ketone created?
The PubChem CID for 3-Chloro-4-fluorophenyl cyclopentyl ketone was created on February 29, 2008.
What is the IUPAC name of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The IUPAC name of 3-Chloro-4-fluorophenyl cyclopentyl ketone is (3-chloro-4-fluorophenyl)-cyclopentylmethanone.
What is the molecular weight of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The molecular weight of 3-Chloro-4-fluorophenyl cyclopentyl ketone is 226.67 g/mol.
What is the Canonical SMILES representation of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The Canonical SMILES representation of 3-Chloro-4-fluorophenyl cyclopentyl ketone is C1CCC(C1)C(=O)C2=CC(=C(C=C2)F)Cl.
What is the InChIKey of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The InChIKey of 3-Chloro-4-fluorophenyl cyclopentyl ketone is UXRHERPWKDXHKG-UHFFFAOYSA-N.
How many hydrogen bond acceptors are present in 3-Chloro-4-fluorophenyl cyclopentyl ketone?
3-Chloro-4-fluorophenyl cyclopentyl ketone has 2 hydrogen bond acceptors.
What is the XLogP3-AA value of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The XLogP3-AA value of 3-Chloro-4-fluorophenyl cyclopentyl ketone is 3.9.
What is the topological polar surface area of 3-Chloro-4-fluorophenyl cyclopentyl ketone?
The topological polar surface area of 3-Chloro-4-fluorophenyl cyclopentyl ketone is 17.1 Ų.
Is 3-Chloro-4-fluorophenyl cyclopentyl ketone a canonicalized compound?
Yes, 3-Chloro-4-fluorophenyl cyclopentyl ketone is a canonicalized compound.
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