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Home > Encyclopedia > Benzenepropanenitrile, alpha-chloro-beta-oxo- (9CI)

Benzenepropanenitrile, alpha-chloro-beta-oxo- (9CI)

Benzenepropanenitrile, alpha-chloro-beta-oxo- (9CI) structure

Benzenepropanenitrile, alpha-chloro-beta-oxo- (9CI) 

structure
  • CAS No:

    22518-21-4

  • Formula:

    C9H6ClNO

  • Chemical Name:

    Benzenepropanenitrile, alpha-chloro-beta-oxo- (9CI)

  • Synonyms:

    2-chlorocyanoacetophenone;2-chloro-3-oxo-3-phenylpropanenitrile;ALPHA-CHLORO-BETA-OXO-BENZENEPROPANENITRILE;SCHEMBL740918;CTK4E9632;DTXSID40507048;Benzenepropanenitrile, a-chloro-b-oxo-

Benzenepropanenitrile, alpha-chloro-beta-oxo- (9CI) Basic Attributes

179.60304

179.014

DTXSID40507048

Characteristics

40.9

2.2

Computed Properties

Molecular Weight:179.60
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:179.0137915
Monoisotopic Mass:179.0137915
Topological Polar Surface Area:40.9
Heavy Atom Count:12
Complexity:212
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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