Cas no 630112-33-3 (Naphth[1,2-d]oxazole, 7-bromo-2-phenyl-)

Naphth[1,2-d]oxazole, 7-bromo-2-phenyl- structure
630112-33-3 structure
Product Name:Naphth[1,2-d]oxazole, 7-bromo-2-phenyl-
CAS No:630112-33-3
MF:C17H10BrNO
MW:324.171403408051
CID:1643683
Update Time:2024-08-30

Naphth[1,2-d]oxazole, 7-bromo-2-phenyl- Chemical and Physical Properties

Names and Identifiers

    • Naphth[1,2-d]oxazole, 7-bromo-2-phenyl-
    • Inchi: 1S/C17H10BrNO/c18-13-7-8-14-12(10-13)6-9-15-16(14)19-17(20-15)11-4-2-1-3-5-11/h1-10H
    • InChI Key: SDADXSSPZJWEQD-UHFFFAOYSA-N
    • SMILES: O1C2=CC=C3C(=C2N=C1C1=CC=CC=C1)C=CC(Br)=C3

Computed Properties

  • Exact Mass: 322.9946

Experimental Properties

  • Density: 1.506±0.06 g/cm3(Predicted)
  • Melting Point: 175-176 °C(Solv: ethanol (64-17-5); dichloromethane (75-09-2))
  • Boiling Point: 443.9±18.0 °C(Predicted)
  • PSA: 26.03
  • pka: -0.45±0.30(Predicted)
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