CAS
898791-69-0 Purity
96%
898791-69-0 Purity
96%
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3-Chloro-5-fluorophenyl cyclopentyl ketone
CAS
898791-72-5
Catalog Number
ACM898791725
Category
Other Products
Molecular Weight
226.67
Molecular Formula
C12H12ClFO
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Specification
Synonyms
3-CHLORO-5-FLUOROPHENYL CYCLOPENTYL KETONE
IUPAC Name
(3-chloro-5-fluorophenyl)-cyclopentylmethanone
Canonical SMILES
C1CCC(C1)C(=O)C2=CC(=CC(=C2)Cl)F
InChI Key
UEMVNUHMBXUTLH-UHFFFAOYSA-N
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 3-Chloro-5-fluorophenyl cyclopentyl ketone?
The molecular formula is C12H12ClFO.
What is the molecular weight of 3-Chloro-5-fluorophenyl cyclopentyl ketone?
The molecular weight is 226.67 g/mol.
When was 3-Chloro-5-fluorophenyl cyclopentyl ketone first created in PubChem?
It was first created on February 29, 2008.
What is the IUPAC name of 3-Chloro-5-fluorophenyl cyclopentyl ketone?
The IUPAC name is (3-chloro-5-fluorophenyl)-cyclopentylmethanone.
What is the InChI associated with 3-Chloro-5-fluorophenyl cyclopentyl ketone?
The InChI is InChI=1S/C12H12ClFO/c13-10-5-9(6-11(14)7-10)12(15)8-3-1-2-4-8/h5-8H,1-4H2.
What is the InChIKey of 3-Chloro-5-fluorophenyl cyclopentyl ketone?
The InChIKey is UEMVNUHMBXUTLH-UHFFFAOYSA-N.
How many hydrogen bond donor counts does 3-Chloro-5-fluorophenyl cyclopentyl ketone have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of 3-Chloro-5-fluorophenyl cyclopentyl ketone?
The topological polar surface area is 17.1 Ų.
Is 3-Chloro-5-fluorophenyl cyclopentyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
How many rotatable bond counts does 3-Chloro-5-fluorophenyl cyclopentyl ketone have?
It has 2 rotatable bond counts.
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