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2-CHLORO-3-OXO-BUTYRONITRILE

2-CHLORO-3-OXO-BUTYRONITRILE structure

CAS No:
60930-76-9
Formula:
C4H4ClNO
Chemical Name:
2-CHLORO-3-OXO-BUTYRONITRILE
Synonyms:
2-CHLORO-3-OXO-BUTYRONITRILE;Butanenitrile, 2-chloro-3-oxo-

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2-CHLORO-3-OXO-BUTYRONITRILE Basic Attributes

Molecular Weight：

117.53366

Exact Mass：

116.99800

DSSTox ID：

DTXSID50484472

HScode：

2926909090

Characteristics

PSA：

40.9

XLogP3：

0.70638

Density：

1.213±0.06 g/cm3(Predicted)

Melting Point：

32-37 °C

Computed Properties

Molecular Weight:117.53
XLogP3:0.6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:116.9981414
Monoisotopic Mass:116.9981414
Topological Polar Surface Area:40.9
Heavy Atom Count:7
Complexity:123
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-CHLORO-3-OXO-BUTYRONITRILE

Basic Attributes
Characteristics
Computed Properties

2-CHLORO-3-OXO-BUTYRONITRILE

SDS

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