CAS
898791-25-8 Purity
96%
898791-25-8 Purity
96%
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Cyclobutyl 3,4-difluorophenyl ketone
CAS
898791-28-1
Catalog Number
ACM898791281
Category
Other Products
Molecular Weight
196.19855
Molecular Formula
C11H10F2O
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Specification
Synonyms
CYCLOBUTYL 3,4-DIFLUOROPHENYL KETONE, 898791-28-1, CTK5G6786, AKOS009339572, AG-H-67085
IUPAC Name
cyclobutyl-(3,4-difluorophenyl)methanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=C(C=C2)F)F
InChI Key
LMKGMUCWRQBMLX-UHFFFAOYSA-N
Exact Mass
196.07000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 3,4-difluorophenyl ketone?
The molecular formula of Cyclobutyl 3,4-difluorophenyl ketone is C11H10F2O.
When was Cyclobutyl 3,4-difluorophenyl ketone created on PubChem?
Cyclobutyl 3,4-difluorophenyl ketone was created on PubChem on February 29, 2008.
What is the IUPAC name of Cyclobutyl 3,4-difluorophenyl ketone?
The IUPAC name of Cyclobutyl 3,4-difluorophenyl ketone is cyclobutyl-(3,4-difluorophenyl)methanone.
What is the InChIKey of Cyclobutyl 3,4-difluorophenyl ketone?
The InChIKey of Cyclobutyl 3,4-difluorophenyl ketone is LMKGMUCWRQBMLX-UHFFFAOYSA-N.
What is the canonical SMILES of Cyclobutyl 3,4-difluorophenyl ketone?
The canonical SMILES of Cyclobutyl 3,4-difluorophenyl ketone is C1CC(C1)C(=O)C2=CC(=C(C=C2)F)F.
How many hydrogen bond donor counts does Cyclobutyl 3,4-difluorophenyl ketone have?
Cyclobutyl 3,4-difluorophenyl ketone has 0 hydrogen bond donor counts.
What is the exact mass of Cyclobutyl 3,4-difluorophenyl ketone?
The exact mass of Cyclobutyl 3,4-difluorophenyl ketone is 196.06997126 g/mol.
How many rotatable bond counts does Cyclobutyl 3,4-difluorophenyl ketone have?
Cyclobutyl 3,4-difluorophenyl ketone has 2 rotatable bond counts.
What is the topological polar surface area of Cyclobutyl 3,4-difluorophenyl ketone?
The topological polar surface area of Cyclobutyl 3,4-difluorophenyl ketone is 17.1 Å^2.
Is the compound Canonicalized?
Yes, the compound Cyclobutyl 3,4-difluorophenyl ketone is canonicalized.
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