CAS
898791-57-6 Purity
96%
898791-57-6 Purity
96%
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4-Chloro-3-fluorophenyl cyclopentyl ketone
CAS
898791-60-1
Catalog Number
ACM898791601
Category
Other Products
Molecular Weight
226.67
Molecular Formula
C12H12ClFO
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Specification
Synonyms
4-CHLORO-3-FLUOROPHENYL CYCLOPENTYL KETONE
IUPAC Name
(4-chloro-3-fluorophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=CC(=C(C=C2)Cl)F
InChI Key
ZYACAMTZHFMXRL-UHFFFAOYSA-N
Boiling Point
329ºC at 760 mmHg
Flash Point
152.8ºC
Density
1.246g/cm³
Exact Mass
226.05600
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Chloro-3-fluorophenyl cyclopentyl ketone?
The molecular formula of 4-Chloro-3-fluorophenyl cyclopentyl ketone is C12H12ClFO.
When was 4-Chloro-3-fluorophenyl cyclopentyl ketone created in PubChem?
4-Chloro-3-fluorophenyl cyclopentyl ketone was created in PubChem on February 29, 2008.
What is the IUPAC name of 4-Chloro-3-fluorophenyl cyclopentyl ketone?
The IUPAC name of 4-Chloro-3-fluorophenyl cyclopentyl ketone is (4-chloro-3-fluorophenyl)-cyclopentylmethanone.
What is the InChIKey of 4-Chloro-3-fluorophenyl cyclopentyl ketone?
The InChIKey of 4-Chloro-3-fluorophenyl cyclopentyl ketone is ZYACAMTZHFMXRL-UHFFFAOYSA-N.
What is the molecular weight of 4-Chloro-3-fluorophenyl cyclopentyl ketone?
The molecular weight of 4-Chloro-3-fluorophenyl cyclopentyl ketone is 226.67 g/mol.
How many hydrogen bond acceptor counts are there in 4-Chloro-3-fluorophenyl cyclopentyl ketone?
4-Chloro-3-fluorophenyl cyclopentyl ketone has 2 hydrogen bond acceptor counts.
What is the XLogP3-AA value of 4-Chloro-3-fluorophenyl cyclopentyl ketone?
The XLogP3-AA value of 4-Chloro-3-fluorophenyl cyclopentyl ketone is 3.9.
What is the exact mass of 4-Chloro-3-fluorophenyl cyclopentyl ketone?
The exact mass of 4-Chloro-3-fluorophenyl cyclopentyl ketone is 226.0560709 g/mol.
How many rotatable bond counts are there in 4-Chloro-3-fluorophenyl cyclopentyl ketone?
4-Chloro-3-fluorophenyl cyclopentyl ketone has 2 rotatable bond counts.
Is 4-Chloro-3-fluorophenyl cyclopentyl ketone a canonicalized compound in PubChem?
Yes, 4-Chloro-3-fluorophenyl cyclopentyl ketone is a canonicalized compound in PubChem.
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