CAS
898791-95-2 Purity
96%
898791-95-2 Purity
96%
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Cyclopentyl 3,5-difluorophenyl ketone
CAS
898791-99-6
Catalog Number
ACM898791996
Category
Other Products
Molecular Weight
210.22
Molecular Formula
C12H12F2O
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Specification
Synonyms
CYCLOPENTYL 3,5-DIFLUOROPHENYL KETONE
IUPAC Name
cyclopentyl-(3,5-difluorophenyl)methanone
Canonical SMILES
C1CCC(C1)C(=O)C2=CC(=CC(=C2)F)F
InChI Key
ZFVGUJCUVBPFEU-UHFFFAOYSA-N
Boiling Point
281.6ºC at 760 mmHg
Flash Point
107.8ºC
Density
1.207g/cm³
Exact Mass
210.08600
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Cyclopentyl 3,5-difluorophenyl ketone?
The molecular formula is C12H12F2O.
What is the molecular weight of Cyclopentyl 3,5-difluorophenyl ketone?
The molecular weight is 210.22 g/mol.
What is the IUPAC Name of Cyclopentyl 3,5-difluorophenyl ketone?
The IUPAC Name is cyclopentyl-(3,5-difluorophenyl)methanone.
What is the InChIKey of Cyclopentyl 3,5-difluorophenyl ketone?
The InChIKey is ZFVGUJCUVBPFEU-UHFFFAOYSA-N.
What is the Canonical SMILES of Cyclopentyl 3,5-difluorophenyl ketone?
The Canonical SMILES is C1CCC(C1)C(=O)C2=CC(=CC(=C2)F)F.
What is the CAS number of Cyclopentyl 3,5-difluorophenyl ketone?
The CAS number is 898791-99-6.
What is the XLogP3-AA value of Cyclopentyl 3,5-difluorophenyl ketone?
The XLogP3-AA value is 3.3.
How many hydrogen bond acceptors are in Cyclopentyl 3,5-difluorophenyl ketone?
There are 3 hydrogen bond acceptors.
What is the topological polar surface area of Cyclopentyl 3,5-difluorophenyl ketone?
The topological polar surface area is 17.1 Ų.
Is Cyclopentyl 3,5-difluorophenyl ketone the canonicalized form?
Yes, the compound is canonicalized.
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