Cas no 16470-10-3 (2-(4-Chloro-2-methylphenyl)acetonitrile)

2-(4-Chloro-2-methylphenyl)acetonitrile structure
16470-10-3 structure
Product Name:2-(4-Chloro-2-methylphenyl)acetonitrile
CAS No:16470-10-3
MF:C9H8ClN
MW:165.619521141052
CID:2101302
PubChem ID:18409934
Update Time:2024-03-01

2-(4-Chloro-2-methylphenyl)acetonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(4-chloro-2-methylphenyl)acetonitrile
    • 4-chloro-2-methylbenzyl cyanide
    • HVVQFXWATRLPQE-UHFFFAOYSA-N
    • (4-Chloro-2-methylphenyl)acetonitrile
    • Benzeneacetonitrile,4-chloro-2-methyl-
    • NE38635
    • 2-(4-Chloro-2-methylphenyl)acetonitrile
    • MDL: MFCD09923675
    • Inchi: 1S/C9H8ClN/c1-7-6-9(10)3-2-8(7)4-5-11/h2-3,6H,4H2,1H3
    • InChI Key: HVVQFXWATRLPQE-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(CC#N)=C(C)C=1

Computed Properties

  • Exact Mass: 165.0345270g/mol
  • Monoisotopic Mass: 165.0345270g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 23.8

2-(4-Chloro-2-methylphenyl)acetonitrile Pricemore >>

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