CAS
898791-03-2 Purity
96%
898791-03-2 Purity
96%
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3-Chloro-5-fluorophenyl cyclobutyl ketone
CAS
898791-06-5
Catalog Number
ACM898791065
Category
Other Products
Molecular Weight
212.65
Molecular Formula
C11H10ClFO
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Specification
Synonyms
3-CHLORO-5-FLUOROPHENYL CYCLOBUTYL KETONE
IUPAC Name
(3-chloro-5-fluorophenyl)-cyclobutylmethanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=CC(=C2)Cl)F
InChI Key
XRLWXYZVGBEFGW-UHFFFAOYSA-N
Boiling Point
303.3ºC at 760 mmHg
Flash Point
137.2ºC
Density
1.295g/cm³
Exact Mass
212.04000
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of the compound 3-Chloro-5-fluorophenyl cyclobutyl ketone?
The molecular formula is C11H10ClFO.
When was the compound created according to PubChem?
The compound was created on 2008-02-29.
What is the molecular weight of 3-Chloro-5-fluorophenyl cyclobutyl ketone?
The molecular weight is 212.65 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is (3-chloro-5-fluorophenyl)-cyclobutylmethanone.
What is the InChIKey of the compound?
The InChIKey is XRLWXYZVGBEFGW-UHFFFAOYSA-N.
What is the Canonical SMILES notation of the compound?
The Canonical SMILES notation is C1CC(C1)C(=O)C2=CC(=CC(=C2)Cl)F.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
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