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3-(2,4-difluorophenyl)-3-oxopropanenitrile

3-(2,4-difluorophenyl)-3-oxopropanenitrile structure

CAS No:
71682-95-6
Formula:
C9H5F2NO
Chemical Name:
3-(2,4-difluorophenyl)-3-oxopropanenitrile
Synonyms:
2,4-Difluoro-b-oxo-benzenepropanenitrile; 2,4-Difluorobenzoylacetonitrile; PC9043; 2,4-Difluoro-beta-Oxo-Benzenepropanenitrile; 2,4,6-TRIIODO-PHENYLAMINE;

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3-(2,4-difluorophenyl)-3-oxopropanenitrile Basic Attributes

Molecular Weight：

181.13900

Exact Mass：

181.03392011

DSSTox ID：

DTXSID50501810

HScode：

2926909090

Characteristics

PSA：

40.86000

XLogP3：

2.06118

Density：

1.3g/cm3

Boiling Point：

304ºC

Flash Point：

137.7ºC

Refractive Index：

1.497

Computed Properties

Molecular Weight:181.14
XLogP3:1.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:181.03392011
Monoisotopic Mass:181.03392011
Topological Polar Surface Area:40.9
Heavy Atom Count:13
Complexity:245
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(2,4-difluorophenyl)-3-oxopropanenitrile

Basic Attributes
Characteristics
Computed Properties

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