Cas no 111424-35-2 (Benz[g]isoquinoline, 1-chloro-8-methoxy-5-methyl-)

Benz[g]isoquinoline, 1-chloro-8-methoxy-5-methyl- structure
111424-35-2 structure
Product Name:Benz[g]isoquinoline, 1-chloro-8-methoxy-5-methyl-
CAS No:111424-35-2
MF:C15H12ClNO
MW:257.714882850647
CID:1203168
Update Time:2024-08-05

Benz[g]isoquinoline, 1-chloro-8-methoxy-5-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benz[g]isoquinoline, 1-chloro-8-methoxy-5-methyl-
    • Inchi: 1S/C15H12ClNO/c1-9-12-4-3-11(18-2)7-10(12)8-14-13(9)5-6-17-15(14)16/h3-8H,1-2H3
    • InChI Key: LHWSSUZFDOHMBU-UHFFFAOYSA-N
    • SMILES: C1(Cl)C2=C(C(C)=C3C=CC(OC)=CC3=C2)C=CN=1

Computed Properties

  • Exact Mass: 257.06086

Experimental Properties

  • Density: 1.268±0.06 g/cm3(Predicted)
  • Melting Point: 150 °C(Solv: hexane (110-54-3))
  • Boiling Point: 446.4±40.0 °C(Predicted)
  • PSA: 22.12
  • pka: 3.21±0.30(Predicted)

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