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Butanenitrile,4,4,4-trifluoro-2-(hydroxymethylene)-3-oxo-

Butanenitrile,4,4,4-trifluoro-2-(hydroxymethylene)-3-oxo- structure

CAS No:
854915-23-4
Formula:
C5H2F3NO2
Chemical Name:
Butanenitrile,4,4,4-trifluoro-2-(hydroxymethylene)-3-oxo-
Synonyms:
ZINC211628758;(2E)-4,4,4-Trifluoro-2-(hydroxymethylene)-3-oxobutanenitrile

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Butanenitrile,4,4,4-trifluoro-2-(hydroxymethylene)-3-oxo- Basic Attributes

Molecular Weight：

165.07

Exact Mass：

165.003763

Characteristics

PSA：

61.1

Density：

1.515±0.06 g/cm3(Predicted)

Computed Properties

Molecular Weight:165.07
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:165.00376279
Monoisotopic Mass:165.00376279
Topological Polar Surface Area:61.1
Heavy Atom Count:11
Complexity:244
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Butanenitrile,4,4,4-trifluoro-2-(hydroxymethylene)-3-oxo-

Basic Attributes
Characteristics
Computed Properties

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