Cas no 180748-36-1 (Methanone, (4-chloro-2-pyridinyl)phenyl-)

Methanone, (4-chloro-2-pyridinyl)phenyl- structure
180748-36-1 structure
Product Name:Methanone, (4-chloro-2-pyridinyl)phenyl-
CAS No:180748-36-1
MF:C12H8ClNO
MW:217.651021957397
CID:1377670
Update Time:2024-08-16

Methanone, (4-chloro-2-pyridinyl)phenyl- Chemical and Physical Properties

Names and Identifiers

    • Methanone, (4-chloro-2-pyridinyl)phenyl-
    • Inchi: 1S/C12H8ClNO/c13-10-6-7-14-11(8-10)12(15)9-4-2-1-3-5-9/h1-8H
    • InChI Key: DJPQROLVDMBZGF-UHFFFAOYSA-N
    • SMILES: C(C1=NC=CC(Cl)=C1)(C1=CC=CC=C1)=O

Computed Properties

  • Exact Mass: 217.02954

Experimental Properties

  • Density: 1.260±0.06 g/cm3(Predicted)
  • Melting Point: 82-84 °C
  • Boiling Point: 354.3±27.0 °C(Predicted)
  • PSA: 29.96
  • pka: 0.96±0.10(Predicted)
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