CAS
898790-61-9 Purity
96%
898790-61-9 Purity
96%
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Cyclobutyl 3-fluorophenyl ketone
CAS
898790-64-2
Catalog Number
ACM898790642
Category
Other Products
Molecular Weight
178.2
Molecular Formula
C11H11FO
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Specification
Synonyms
CYCLOBUTYL 3-FLUOROPHENYL KETONE
IUPAC Name
cyclobutyl-(3-fluorophenyl)methanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=CC=C2)F
InChI Key
YDBCUVFNKGSEEI-UHFFFAOYSA-N
Boiling Point
262.1ºC at 760 mmHg
Flash Point
104.4ºC
Density
1.17g/cm³
Exact Mass
178.07900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 3-fluorophenyl ketone?
The molecular formula is C11H11FO.
When was Cyclobutyl 3-fluorophenyl ketone created and last modified?
It was created on 2008-02-29 and last modified on 2023-12-30.
What is the IUPAC name of Cyclobutyl 3-fluorophenyl ketone?
The IUPAC name is cyclobutyl-(3-fluorophenyl)methanone.
What is the InChIKey of Cyclobutyl 3-fluorophenyl ketone?
The InChIKey is YDBCUVFNKGSEEI-UHFFFAOYSA-N.
What is the canonical SMILES representation of Cyclobutyl 3-fluorophenyl ketone?
The canonical SMILES is C1CC(C1)C(=O)C2=CC(=CC=C2)F.
What is the exact mass of Cyclobutyl 3-fluorophenyl ketone?
The exact mass is 178.079393132 g/mol.
How many hydrogen bond acceptors are in Cyclobutyl 3-fluorophenyl ketone?
There are 2 hydrogen bond acceptors.
What is the topological polar surface area of Cyclobutyl 3-fluorophenyl ketone?
The topological polar surface area is 17.1 Å^2.
How many heavy atoms are in Cyclobutyl 3-fluorophenyl ketone?
There are 13 heavy atoms.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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