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1-(3,4-Difluorophenyl)-3,3-dimethyl-1-butanone

1-(3,4-Difluorophenyl)-3,3-dimethyl-1-butanone structure

CAS No:
898764-96-0
Formula:
C12H14F2O
Chemical Name:
1-(3,4-Difluorophenyl)-3,3-dimethyl-1-butanone
Synonyms:
1-Butanone,1-(3,4-difluorophenyl)-3,3-dimethyl-;1-(3,4-Difluorophenyl)-3,3-dimethyl-1-butanone

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1-(3,4-Difluorophenyl)-3,3-dimethyl-1-butanone Basic Attributes

Molecular Weight：

212.23600

Exact Mass：

212.24

DSSTox ID：

DTXSID90642413

HScode：

2914700090

Characteristics

PSA：

17.07000

XLogP3：

3.58370

Density：

1.085g/cm3

Boiling Point：

266.3ºC

Flash Point：

101.7ºC

Refractive Index：

1.472

Computed Properties

Molecular Weight:212.24
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:212.10127139
Monoisotopic Mass:212.10127139
Topological Polar Surface Area:17.1
Heavy Atom Count:15
Complexity:232
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(3,4-Difluorophenyl)-3,3-dimethyl-1-butanone

Basic Attributes
Characteristics
Computed Properties

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