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3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone

3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone structure

CAS No:
898764-74-4
Formula:
C13H15F3O
Chemical Name:
3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone
Synonyms:
1-Butanone,3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]-;3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone

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3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone Basic Attributes

Molecular Weight：

244.25300

Exact Mass：

244.25

DSSTox ID：

DTXSID80642402

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

4.32430

Density：

1.107g/cm3

Boiling Point：

252ºC

Flash Point：

139.7ºC

Refractive Index：

1.454

Computed Properties

Molecular Weight:244.25
XLogP3:4.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:244.10749958
Monoisotopic Mass:244.10749958
Topological Polar Surface Area:17.1
Heavy Atom Count:17
Complexity:275
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,3-Dimethyl-1-[3-(trifluoromethyl)phenyl]-1-butanone

Basic Attributes
Characteristics
Computed Properties

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