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Home > Encyclopedia > Benzonitrile,2-methyl-5-(1-methylethyl)-(9CI)

Benzonitrile,2-methyl-5-(1-methylethyl)-(9CI)

Benzonitrile,2-methyl-5-(1-methylethyl)-(9CI) structure

Benzonitrile,2-methyl-5-(1-methylethyl)-(9CI) 

structure
  • CAS No:

    40180-46-9

  • Formula:

    C11H13N

  • Chemical Name:

    Benzonitrile,2-methyl-5-(1-methylethyl)-(9CI)

  • Synonyms:

    SCHEMBL5177002;5-isopropyl-2-methylbenzonitrile;2-methyl-5-propan-2-ylbenzonitrile;ZINC39103646

Benzonitrile,2-methyl-5-(1-methylethyl)-(9CI) Basic Attributes

159.22762

159.105

Characteristics

23.8

3.1

Computed Properties

Molecular Weight:159.23
XLogP3:3.1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:159.104799419
Monoisotopic Mass:159.104799419
Topological Polar Surface Area:23.8
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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