CAS
898791-18-9 Purity
96%
898791-18-9 Purity
96%
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Cyclobutyl 3,4-dichlorophenyl ketone
CAS
898791-21-4
Catalog Number
ACM898791214
Category
Other Products
Molecular Weight
229.1
Molecular Formula
C11H10Cl2O
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Specification
Synonyms
CYCLOBUTYL 3,4-DICHLOROPHENYL KETONE
IUPAC Name
cyclobutyl-(3,4-dichlorophenyl)methanone
Canonical SMILES
C1CC(C1)C(=O)C2=CC(=C(C=C2)Cl)Cl
InChI Key
IWXVLJAVZHYAAF-UHFFFAOYSA-N
Boiling Point
348.7ºC at 760 mmHg
Flash Point
147.2ºC
Density
1.332g/cm³
Exact Mass
228.01100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclobutyl 3,4-dichlorophenyl ketone?
The molecular formula is C11H10Cl2O.
When was Cyclobutyl 3,4-dichlorophenyl ketone created and modified in PubChem?
It was created on 2008-02-29 and modified on 2023-12-30.
What is the IUPAC name of Cyclobutyl 3,4-dichlorophenyl ketone?
The IUPAC name is cyclobutyl-(3,4-dichlorophenyl)methanone.
What is the InChI of Cyclobutyl 3,4-dichlorophenyl ketone?
The InChI is InChI=1S/C11H10Cl2O/c12-9-5-4-8(6-10(9)13)11(14)7-2-1-3-7/h4-7H,1-3H2.
What is the InChIKey of Cyclobutyl 3,4-dichlorophenyl ketone?
The InChIKey is IWXVLJAVZHYAAF-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Cyclobutyl 3,4-dichlorophenyl ketone have?
It has 0 hydrogen bond donor counts.
What is the XLogP3-AA value of Cyclobutyl 3,4-dichlorophenyl ketone?
The XLogP3-AA value is 3.9.
What is the topological polar surface area of Cyclobutyl 3,4-dichlorophenyl ketone?
The topological polar surface area is 17.1 Ų.
Is Cyclobutyl 3,4-dichlorophenyl ketone a canonicalized compound?
Yes, it is a canonicalized compound.
How many defined atom stereocenter counts does Cyclobutyl 3,4-dichlorophenyl ketone have?
It has 0 defined atom stereocenter counts.
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