CAS
898791-67-8 Purity
96%
898791-67-8 Purity
96%
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2-Chloro-4-fluorophenyl cyclopentyl ketone
CAS
898791-70-3
Catalog Number
ACM898791703
Category
Other Products
Molecular Weight
226.67
Molecular Formula
C12H12ClFO
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Specification
Synonyms
2-CHLORO-4-FLUOROPHENYL CYCLOPENTYL KETONE
IUPAC Name
(2-chloro-4-fluorophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=C(C=C(C=C2)F)Cl
InChI Key
VURHZRHNUVMLHG-UHFFFAOYSA-N
Boiling Point
291.9ºC at 760 mmHg
Flash Point
130.3ºC
Density
1.246g/cm³
Exact Mass
226.05600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The molecular formula of 2-Chloro-4-fluorophenyl cyclopentyl ketone is C12H12ClFO.
What are the synonyms of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The synonyms of 2-Chloro-4-fluorophenyl cyclopentyl ketone include 2-chloro-4-fluorophenyl cyclopentyl ketone, (2-chloro-4-fluorophenyl)(cyclopentyl)methanone, and (2-chloro-4-fluorophenyl)-cyclopentylmethanone.
What is the molecular weight of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The molecular weight of 2-Chloro-4-fluorophenyl cyclopentyl ketone is 226.67 g/mol.
What is the IUPAC name of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The IUPAC name of 2-Chloro-4-fluorophenyl cyclopentyl ketone is (2-chloro-4-fluorophenyl)-cyclopentylmethanone.
What is the InChI of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The InChI of 2-Chloro-4-fluorophenyl cyclopentyl ketone is InChI=1S/C12H12ClFO/c13-11-7-9(14)5-6-10(11)12(15)8-3-1-2-4-8/h5-8H,1-4H2.
What is the InChIKey of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The InChIKey of 2-Chloro-4-fluorophenyl cyclopentyl ketone is VURHZRHNUVMLHG-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The Canonical SMILES of 2-Chloro-4-fluorophenyl cyclopentyl ketone is C1CCC(C1)C(=O)C2=C(C=C(C=C2)F)Cl.
What is the XLogP3-AA value of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
The XLogP3-AA value of 2-Chloro-4-fluorophenyl cyclopentyl ketone is 3.9.
How many hydrogen bond acceptors are there in the structure of 2-Chloro-4-fluorophenyl cyclopentyl ketone?
There are 2 hydrogen bond acceptors in the structure of 2-Chloro-4-fluorophenyl cyclopentyl ketone.
Is the compound canonicalized in the PubChem database?
Yes, the compound is canonicalized in the PubChem database.
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