CAS
898791-72-5 Purity
96%
898791-72-5 Purity
96%
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4-Chloro-2-fluorophenyl cyclopentyl ketone
CAS
898791-75-8
Catalog Number
ACM898791758
Category
Other Products
Molecular Weight
226.67
Molecular Formula
C12H12ClFO
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Specification
Synonyms
4-CHLORO-2-FLUOROPHENYL CYCLOPENTYL KETONE
IUPAC Name
(4-chloro-2-fluorophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=C(C=C(C=C2)Cl)F
InChI Key
IMLUROSOACRTMK-UHFFFAOYSA-N
Boiling Point
316.7ºC at 760 mmHg
Flash Point
145.3ºC
Density
1.246g/cm³
Exact Mass
226.05600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Chloro-2-fluorophenyl cyclopentyl ketone?
The molecular formula of 4-Chloro-2-fluorophenyl cyclopentyl ketone is C12H12ClFO.
When was 4-Chloro-2-fluorophenyl cyclopentyl ketone first created?
4-Chloro-2-fluorophenyl cyclopentyl ketone was first created on February 29, 2008.
What is the molecular weight of 4-Chloro-2-fluorophenyl cyclopentyl ketone?
The molecular weight of 4-Chloro-2-fluorophenyl cyclopentyl ketone is 226.67 g/mol.
In simple terms, what is the IUPAC name of 4-Chloro-2-fluorophenyl cyclopentyl ketone?
The IUPAC name of 4-Chloro-2-fluorophenyl cyclopentyl ketone is (4-chloro-2-fluorophenyl)-cyclopentylmethanone.
What is the InChIKey for 4-Chloro-2-fluorophenyl cyclopentyl ketone?
The InChIKey for 4-Chloro-2-fluorophenyl cyclopentyl ketone is IMLUROSOACRTMK-UHFFFAOYSA-N.
How many hydrogen bond acceptors are there in 4-Chloro-2-fluorophenyl cyclopentyl ketone?
There are 2 hydrogen bond acceptors in 4-Chloro-2-fluorophenyl cyclopentyl ketone.
What is the topological polar surface area of 4-Chloro-2-fluorophenyl cyclopentyl ketone?
The topological polar surface area of 4-Chloro-2-fluorophenyl cyclopentyl ketone is 17.1 Å2.
Is 4-Chloro-2-fluorophenyl cyclopentyl ketone a canonicalized compound?
Yes, 4-Chloro-2-fluorophenyl cyclopentyl ketone is a canonicalized compound.
What is the XLogP3-AA value for 4-Chloro-2-fluorophenyl cyclopentyl ketone?
The XLogP3-AA value for 4-Chloro-2-fluorophenyl cyclopentyl ketone is 3.9.
How many rotatable bonds are present in 4-Chloro-2-fluorophenyl cyclopentyl ketone?
There are 2 rotatable bonds in 4-Chloro-2-fluorophenyl cyclopentyl ketone.
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