CAS
898791-00-9 Purity
96%
898791-00-9 Purity
96%
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2-Chloro-4-fluorophenyl cyclobutyl ketone
CAS
898791-03-2
Catalog Number
ACM898791032
Category
Other Products
Molecular Weight
212.65315
Molecular Formula
C11H10ClFO
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Specification
Synonyms
2-CHLORO-4-FLUOROPHENYL CYCLOBUTYL KETONE, 898791-03-2, CTK5G6761, AKOS016019933, AG-H-67060, KB-169727
IUPAC Name
(2-chloro-4-fluorophenyl)-cyclobutylmethanone
Canonical SMILES
C1CC(C1)C(=O)C2=C(C=C(C=C2)F)Cl
InChI Key
KAKSWWNSCKOQPH-UHFFFAOYSA-N
Boiling Point
273.1ºC at 760 mmHg
Flash Point
118.9ºC
Density
1.295g/cm³
Exact Mass
212.04000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The molecular formula is C11H10ClFO.
What is the molecular weight of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The molecular weight is 212.65 g/mol.
What is the IUPAC name of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The IUPAC name is (2-chloro-4-fluorophenyl)-cyclobutylmethanone.
What is the InChIKey of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The InChIKey is KAKSWWNSCKOQPH-UHFFFAOYSA-N.
What is the Canonical SMILES of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The Canonical SMILES is C1CC(C1)C(=O)C2=C(C=C(C=C2)F)Cl.
What is the XLogP3-AA value of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The XLogP3-AA value is 3.3.
How many hydrogen bond acceptors are in 2-Chloro-4-fluorophenyl cyclobutyl ketone?
There are 2 hydrogen bond acceptors.
What is the exact mass of 2-Chloro-4-fluorophenyl cyclobutyl ketone?
The exact mass is 212.0404208 g/mol.
How many rotatable bond counts are in 2-Chloro-4-fluorophenyl cyclobutyl ketone?
There are 2 rotatable bond counts.
Is 2-Chloro-4-fluorophenyl cyclobutyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
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