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Home > Encyclopedia > Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI)

Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI)

Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI) structure

Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI) 

structure
  • CAS No:

    808773-42-4

  • Formula:

    C13H9N3

  • Chemical Name:

    Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI)

  • Synonyms:

    3-((2-methyl-1H-imidazol-4-yl)ethynyl)benzonitrile;3-[(2-Methyl-1H-imidazol-4-yl)ethynyl]benzonitrile;SCHEMBL1024735;ZINC39105559;3-(2-methyl-1H-imidazol-4-ylethynyl)-benzonitrile;3-[2-(2-methyl-1H-imidazol-5-yl)ethynyl]benzonitrile

Benzonitrile, 3-[(2-methyl-1H-imidazol-4-yl)ethynyl]- (9CI) Basic Attributes

207.23066

207.08

Characteristics

52.5

2.2

1.25±0.1 g/cm3(Predicted)

Computed Properties

Molecular Weight:207.23
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:207.079647300
Monoisotopic Mass:207.079647300
Topological Polar Surface Area:52.5
Heavy Atom Count:16
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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