CAS
898791-29-2 Purity
96%
898791-29-2 Purity
96%
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Cyclobutyl 3,4,5-trifluorophenyl ketone
CAS
898791-32-7
Catalog Number
ACM898791327
Category
Other Products
Molecular Weight
214.18
Molecular Formula
C11H9F3O
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Specification
Synonyms
CYCLOBUTYL 3,4,5-TRIFLUOROPHENYL KETONE
IUPAC Name
cyclobutyl-(3,4,5-trifluorophenyl)methanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=C(C(=C2)F)F)F
InChI Key
KGZVWBZTKXRPCL-UHFFFAOYSA-N
Boiling Point
278.5ºC at 760 mmHg
Flash Point
120.3ºC
Density
1.333g/cm³
Exact Mass
214.06100
H-Bond Acceptor
4
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 24724155?
The molecular formula is C11H9F3O.
What is the molecular weight of the compound?
The molecular weight is 214.18 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is cyclobutyl-(3,4,5-trifluorophenyl)methanone.
What is the InChI of the compound?
The InChI is InChI=1S/C11H9F3O/c12-8-4-7(5-9(13)10(8)14)11(15)6-2-1-3-6/h4-6H,1-3H2.
What is the InChIKey of the compound?
The InChIKey is KGZVWBZTKXRPCL-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1CC(C1)C(=O)C2=CC(=C(C(=C2)F)F)F.
What is the CAS number of the compound?
The CAS number is 898791-32-7.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 17.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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