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5-[2-(Trifluoromethyl)phenyl]-1,3-cyclohexanedione

5-[2-(Trifluoromethyl)phenyl]-1,3-cyclohexanedione structure

CAS No:
55579-73-2
Formula:
C13H11F3O2
Chemical Name:
5-[2-(Trifluoromethyl)phenyl]-1,3-cyclohexanedione
Synonyms:
1,3-Cyclohexanedione,5-[2-(trifluoromethyl)phenyl]-;5-[2-(Trifluoromethyl)phenyl]-1,3-cyclohexanedione

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5-[2-(Trifluoromethyl)phenyl]-1,3-cyclohexanedione Basic Attributes

Molecular Weight：

256.22000

Exact Mass：

256.22

DSSTox ID：

DTXSID30345916

Characteristics

PSA：

34.14000

XLogP3：

3.11110

Density：

1.299g/cm3

Boiling Point：

355.6ºC at 760 mmHg

Flash Point：

127.8ºC

Refractive Index：

1.493

Computed Properties

Molecular Weight:256.22
XLogP3:2.3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:256.07111408
Monoisotopic Mass:256.07111408
Topological Polar Surface Area:34.1
Heavy Atom Count:18
Complexity:333
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-[2-(Trifluoromethyl)phenyl]-1,3-cyclohexanedione

Basic Attributes
Characteristics
Computed Properties

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