Cas no 1095544-68-5 (2-(5-Chloropyridin-2-yl)-2-methylpropanenitrile)

2-(5-Chloropyridin-2-yl)-2-methylpropanenitrile structure
1095544-68-5 structure
Product Name:2-(5-Chloropyridin-2-yl)-2-methylpropanenitrile
CAS No:1095544-68-5
MF:C9H9ClN2
MW:180.634160757065
MDL:MFCD27996823
CID:1095475
PubChem ID:69098690
Update Time:2025-09-18

2-(5-Chloropyridin-2-yl)-2-methylpropanenitrile Chemical and Physical Properties

Names and Identifiers

    • 2-(5-Chloropyridin-2-yl)-2-methylpropanenitrile
    • 1095544-68-5
    • SCHEMBL4573186
    • SB55082
    • EN300-1967081
    • MDL: MFCD27996823
    • Inchi: 1S/C9H9ClN2/c1-9(2,6-11)8-4-3-7(10)5-12-8/h3-5H,1-2H3
    • InChI Key: OCOSPYJQNFRFFP-UHFFFAOYSA-N
    • SMILES: ClC1=CN=C(C=C1)C(C#N)(C)C

Computed Properties

  • Exact Mass: 180.0454260g/mol
  • Monoisotopic Mass: 180.0454260g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 204
  • 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: 2.1
  • Topological Polar Surface Area: 36.7?2

2-(5-Chloropyridin-2-yl)-2-methylpropanenitrile Pricemore >>

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