CAS
898791-78-1 Purity
96%
898791-78-1 Purity
96%
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Cyclopentyl 2,4-dichlorophenyl ketone
CAS
898791-81-6
Catalog Number
ACM898791816
Category
Other Products
Molecular Weight
243.13
Molecular Formula
C12H12Cl2O
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Specification
Synonyms
CYCLOPENTYL 2,4-DICHLOROPHENYL KETONE
IUPAC Name
cyclopentyl-(2,4-dichlorophenyl)methanone
Canonical SMILES
C1CCC(C1)C(=O)C2=C(C=C(C=C2)Cl)Cl
InChI Key
UCMDVNAKOGRENU-UHFFFAOYSA-N
Boiling Point
328.6ºC at 760 mmHg
Flash Point
138.4ºC
Density
1.282g/cm³
Exact Mass
242.02700
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of Cyclopentyl 2,4-dichlorophenyl ketone?
The molecular formula of Cyclopentyl 2,4-dichlorophenyl ketone is C12H12Cl2O.
When was Cyclopentyl 2,4-dichlorophenyl ketone created?
Cyclopentyl 2,4-dichlorophenyl ketone was created on February 8, 2007.
What is the computed IUPAC name of Cyclopentyl 2,4-dichlorophenyl ketone?
The computed IUPAC name of Cyclopentyl 2,4-dichlorophenyl ketone is cyclopentyl-(2,4-dichlorophenyl)methanone.
What is the InChIKey for Cyclopentyl 2,4-dichlorophenyl ketone?
The InChIKey for Cyclopentyl 2,4-dichlorophenyl ketone is UCMDVNAKOGRENU-UHFFFAOYSA-N.
What is the Canonical SMILES representation of Cyclopentyl 2,4-dichlorophenyl ketone?
The Canonical SMILES representation of Cyclopentyl 2,4-dichlorophenyl ketone is C1CCC(C1)C(=O)C2=C(C=C(C=C2)Cl)Cl.
What is the molecular weight of Cyclopentyl 2,4-dichlorophenyl ketone?
The molecular weight of Cyclopentyl 2,4-dichlorophenyl ketone is 243.13 g/mol.
How many hydrogen bond acceptor counts does Cyclopentyl 2,4-dichlorophenyl ketone have?
Cyclopentyl 2,4-dichlorophenyl ketone has 1 hydrogen bond acceptor count.
What is the XLogP3-AA value for Cyclopentyl 2,4-dichlorophenyl ketone?
The XLogP3-AA value for Cyclopentyl 2,4-dichlorophenyl ketone is 4.4.
Is the compound canonicalized for Cyclopentyl 2,4-dichlorophenyl ketone?
Yes, the compound is canonicalized for Cyclopentyl 2,4-dichlorophenyl ketone.
How many rotatable bond counts does Cyclopentyl 2,4-dichlorophenyl ketone have?
Cyclopentyl 2,4-dichlorophenyl ketone has 2 rotatable bond counts.
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